CAS RN: 759437-26-8
CAS Name: 8-hydroxy-7-[[4-[(E)-2-[4-[[(8-hydroxy-5-sulfo-7-quinolinyl)-oxomethyl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-oxomethyl]-5-quinolinesulfonic acid
OPENEYE Name: 8-hydroxy-7-[[4-[(E)-2-[4-[(8-hydroxy-5-sulfo-quinoline-7-carbonyl)amino]-2-sulfo-phenyl]vinyl]-3-sulfo-phenyl]carbamoyl]quinoline-5-sulfonic acid
IUPAC Name: 8-hydroxy-7-[[4-[(E)-2-[4-[(8-hydroxy-5-sulfoquinoline-7-carbonyl)amino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]carbamoyl]quinoline-5-sulfonic acid
SYSTEMATIC NAME: 8-oxidanyl-7-[[4-[(E)-2-[4-[(8-oxidanyl-5-sulfo-quinolin-7-yl)carbonylamino]-2-sulfo-phenyl]ethenyl]-3-sulfo-phenyl]carbamoyl]quinoline-5-sulfonic acid
MOLECULAR FORMULA: C34H24N4O16S4
MOLECULAR WEIGHT: 872.83156
SMILES: C1=CC2=C(C=C(C(=C2N=C1)O)C(=O)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC(=O)C5=CC(=C6C=CC=NC6=C5O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
Structure:
CAS RN: 124996-02-7
CAS Name: (2E)-2-[(4-hydroxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
OPENEYE Name: (2E)-2-[(4-hydroxyphenyl)methylene]tetralin-1-one
IUPAC Name: (2E)-2-[(4-hydroxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
SYSTEMATIC NAME: (2E)-2-[(4-hydroxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
MOLECULAR FORMULA: C17H14O2
MOLECULAR WEIGHT: 250.29186
SMILES: C1C/C(=C\C2=CC=C(C=C2)O)/C(=O)C3=CC=CC=C31
Structure:
CAS RN: 100700-43-4
CAS Name: 1-(3-chlorophenyl)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)-1-butanone oxime
OPENEYE Name: 1-(3-chlorophenyl)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-1-one oxime
IUPAC Name: (4Z)-4-(3-chlorophenyl)-1,1,1-trifluoro-4-hydroxyimino-2-(trifluoromethyl)butan-2-ol
SYSTEMATIC NAME: (4Z)-4-(3-chlorophenyl)-1,1,1-tris(fluoranyl)-4-hydroxyimino-2-(trifluoromethyl)butan-2-ol
MOLECULAR FORMULA: C11H8ClF6NO2
MOLECULAR WEIGHT: 335.630139
SMILES: C1=CC(=CC(=C1)Cl)/C(=N\O)/CC(C(F)(F)F)(C(F)(F)F)O
Structure:
CAS RN: 180045-65-2
CAS Name: 1-[3-(dimethylamino)propyl]-3-[(E)-1-naphthalenylmethylideneamino]urea
OPENEYE Name: 1-[3-(dimethylamino)propyl]-3-[(E)-1-naphthylmethyleneamino]urea
IUPAC Name: 1-[3-(dimethylamino)propyl]-3-[(E)-naphthalen-1-ylmethylideneamino]urea
SYSTEMATIC NAME: 1-[3-(dimethylamino)propyl]-3-[(E)-naphthalen-1-ylmethylideneamino]urea
MOLECULAR FORMULA: C17H22N4O
MOLECULAR WEIGHT: 298.38278
SMILES: CN(C)CCCNC(=O)N/N=C/C1=CC=CC2=CC=CC=C21
Structure:
CAS RN: 139552-97-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H34O3
MOLECULAR WEIGHT: 322.48216
SMILES: CC(C)C\1CCC2(/C1=C\CC(C3C(CC(C3C2)CO)O)(C)O)C
Structure:
CAS RN: 3695-86-1
CAS Name: (E)-2-cyano-3-(2-furanyl)-2-propenoic acid methyl ester
OPENEYE Name: methyl (E)-2-cyano-3-(2-furyl)prop-2-enoate
IUPAC Name: methyl (E)-2-cyano-3-(furan-2-yl)prop-2-enoate
SYSTEMATIC NAME: methyl (E)-2-cyano-3-(furan-2-yl)prop-2-enoate
MOLECULAR FORMULA: C9H7NO3
MOLECULAR WEIGHT: 177.15678
SMILES: COC(=O)/C(=C/C1=CC=CO1)/C#N
Structure:
CAS RN: 101221-66-3
CAS Name: (4Z)-1,1,1-trifluoro-4-phenyl-4-[(Z)-[4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butylidene]hydrazinylidene]-2-(trifluoromethyl)-2-butanol
OPENEYE Name: (4Z)-1,1,1-trifluoro-4-phenyl-4-[(Z)-[4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butylidene]hydrazono]-2-(trifluoromethyl)butan-2-ol
IUPAC Name: (4Z)-1,1,1-trifluoro-4-phenyl-4-[(Z)-[4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butylidene]hydrazinylidene]-2-(trifluoromethyl)butan-2-ol
SYSTEMATIC NAME: (4Z)-1,1,1-tris(fluoranyl)-4-phenyl-2-(trifluoromethyl)-4-[(Z)-[4,4,4-tris(fluoranyl)-3-oxidanyl-1-phenyl-3-(trifluoromethyl)butylidene]hydrazinylidene]butan-2-ol
MOLECULAR FORMULA: C22H16F12N2O2
MOLECULAR WEIGHT: 568.355478
SMILES: C1=CC=C(C=C1)/C(=N\N=C(/C2=CC=CC=C2)\CC(O)(C(F)(F)F)C(F)(F)F)/CC(O)(C(F)(F)F)C(F)(F)F
Structure:
CAS RN: 19019-21-7
CAS Name: 1,3-dimethoxy-5-[(E)-2-nitroprop-1-enyl]benzene
OPENEYE Name: 1,3-dimethoxy-5-[(E)-2-nitroprop-1-enyl]benzene
IUPAC Name: 1,3-dimethoxy-5-[(E)-2-nitroprop-1-enyl]benzene
SYSTEMATIC NAME: 1,3-dimethoxy-5-[(E)-2-nitroprop-1-enyl]benzene
MOLECULAR FORMULA: C11H13NO4
MOLECULAR WEIGHT: 223.22522
SMILES: C/C(=C\C1=CC(=CC(=C1)OC)OC)/[N+](=O)[O-]
Structure:
CAS RN: 125533-88-2
CAS Name: 4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]morpholine
OPENEYE Name: 4-[2-[4-[(E)-2-(1,1,4,4-tetramethyltetralin-6-yl)prop-1-enyl]phenoxy]ethyl]morpholine
IUPAC Name: 4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]morpholine
SYSTEMATIC NAME: 4-[2-[4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenoxy]ethyl]morpholine
MOLECULAR FORMULA: C29H39NO2
MOLECULAR WEIGHT: 433.62546
SMILES: C/C(=C\C1=CC=C(C=C1)OCCN2CCOCC2)/C3=CC4=C(C=C3)C(CCC4(C)C)(C)C
Structure:
CAS RN: 144398-00-5
CAS Name: 4-[[2-[(E)-3-hydroxybut-1-enyl]-5-oxo-3-oxolanyl]amino]benzaldehyde
OPENEYE Name: 4-[[2-[(E)-3-hydroxybut-1-enyl]-5-oxo-tetrahydrofuran-3-yl]amino]benzaldehyde
IUPAC Name: 4-[[2-[(E)-3-hydroxybut-1-enyl]-5-oxooxolan-3-yl]amino]benzaldehyde
SYSTEMATIC NAME: 4-[[2-[(E)-3-oxidanylbut-1-enyl]-5-oxidanylidene-oxolan-3-yl]amino]benzaldehyde
MOLECULAR FORMULA: C15H17NO4
MOLECULAR WEIGHT: 275.29978
SMILES: CC(/C=C/C1C(CC(=O)O1)NC2=CC=C(C=C2)C=O)O
Structure:
CAS RN: 131602-06-7
CAS Name: (3R)-4,6-dimethoxy-3-[4-oxo-6-[(E)-prop-1-enyl]-3-pyranyl]-3H-isobenzofuran-1-one
OPENEYE Name: (3R)-4,6-dimethoxy-3-[4-oxo-6-[(E)-prop-1-enyl]pyran-3-yl]-3H-isobenzofuran-1-one
IUPAC Name: (3R)-4,6-dimethoxy-3-[4-oxo-6-[(E)-prop-1-enyl]pyran-3-yl]-3H-2-benzofuran-1-one
SYSTEMATIC NAME: (3R)-4,6-dimethoxy-3-[4-oxidanylidene-6-[(E)-prop-1-enyl]pyran-3-yl]-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C18H16O6
MOLECULAR WEIGHT: 328.31604
SMILES: C/C=C/C1=CC(=O)C(=CO1)[C@H]2C3=C(C=C(C=C3C(=O)O2)OC)OC
Structure:
CAS RN: 72669-21-7
CAS Name: (3R)-4,6-dimethoxy-3-[4-oxo-6-[(E)-prop-1-enyl]-3-pyranyl]-3H-isobenzofuran-1-one
OPENEYE Name: (3R)-4,6-dimethoxy-3-[4-oxo-6-[(E)-prop-1-enyl]pyran-3-yl]-3H-isobenzofuran-1-one
IUPAC Name: (3R)-4,6-dimethoxy-3-[4-oxo-6-[(E)-prop-1-enyl]pyran-3-yl]-3H-2-benzofuran-1-one
SYSTEMATIC NAME: (3R)-4,6-dimethoxy-3-[4-oxidanylidene-6-[(E)-prop-1-enyl]pyran-3-yl]-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C18H16O6
MOLECULAR WEIGHT: 328.31604
SMILES: C/C=C/C1=CC(=O)C(=CO1)[C@H]2C3=C(C=C(C=C3C(=O)O2)OC)OC
Structure:
CAS RN: 66325-58-4
CAS Name: (E)-2-diethoxyphosphoryl-3-(2-methoxyphenyl)-2-propenenitrile
OPENEYE Name: (E)-2-diethoxyphosphoryl-3-(2-methoxyphenyl)prop-2-enenitrile
IUPAC Name: (E)-2-diethoxyphosphoryl-3-(2-methoxyphenyl)prop-2-enenitrile
SYSTEMATIC NAME: (E)-2-diethoxyphosphoryl-3-(2-methoxyphenyl)prop-2-enenitrile
MOLECULAR FORMULA: C14H18NO4P
MOLECULAR WEIGHT: 295.270781
SMILES: CCOP(=O)(/C(=C/C1=CC=CC=C1OC)/C#N)OCC
Structure:
CAS RN: 146515-39-1
CAS Name: (3Z)-3-[hydroxy(methoxy)methylidene]-2H-isoquinoline-7,8-dione
OPENEYE Name: (3Z)-3-[hydroxy(methoxy)methylene]-2H-isoquinoline-7,8-dione
IUPAC Name: (3Z)-3-[hydroxy(methoxy)methylidene]-2H-isoquinoline-7,8-dione
SYSTEMATIC NAME: (3Z)-3-[methoxy(oxidanyl)methylidene]-2H-isoquinoline-7,8-dione
MOLECULAR FORMULA: C11H9NO4
MOLECULAR WEIGHT: 219.19346
SMILES: CO/C(=C\1/C=C2C=CC(=O)C(=O)C2=CN1)/O
Structure:
CAS RN: 108997-30-4
CAS Name: (E)-1,3-bis(4-hydroxyphenyl)-2-propen-1-one
OPENEYE Name: (E)-1,3-bis(4-hydroxyphenyl)prop-2-en-1-one
IUPAC Name: (E)-1,3-bis(4-hydroxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-1,3-bis(4-hydroxyphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C15H12O3
MOLECULAR WEIGHT: 240.25398
SMILES: C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)O)O
Structure:
CAS RN: 3600-61-1
CAS Name: (E)-1,3-bis(4-hydroxyphenyl)-2-propen-1-one
OPENEYE Name: (E)-1,3-bis(4-hydroxyphenyl)prop-2-en-1-one
IUPAC Name: (E)-1,3-bis(4-hydroxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-1,3-bis(4-hydroxyphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C15H12O3
MOLECULAR WEIGHT: 240.25398
SMILES: C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)O)O
Structure:
CAS RN: 10038-74-1
CAS Name: (1Z)-7-[(8Z)-1,6-dihydroxy-3-methyl-7-oxo-8-[(1-phenylethylamino)methylidene]-5-propan-2-yl-2-naphthalenyl]-3,8-dihydroxy-6-methyl-1-[(1-phenylethylamino)methylidene]-4-propan-2-yl-2-naphthalenone
OPENEYE Name: (1Z)-7-[(8Z)-1,6-dihydroxy-5-isopropyl-3-methyl-7-oxo-8-[(1-phenylethylamino)methylene]-2-naphthyl]-3,8-dihydroxy-4-isopropyl-6-methyl-1-[(1-phenylethylamino)methylene]naphthalen-2-one
IUPAC Name: (1Z)-7-[(8Z)-1,6-dihydroxy-3-methyl-7-oxo-8-[(1-phenylethylamino)methylidene]-5-propan-2-ylnaphthalen-2-yl]-3,8-dihydroxy-6-methyl-1-[(1-phenylethylamino)methylidene]-4-propan-2-ylnaphthalen-2-one
SYSTEMATIC NAME: (1Z)-6-methyl-7-[(8Z)-3-methyl-1,6-bis(oxidanyl)-7-oxidanylidene-8-[(1-phenylethylamino)methylidene]-5-propan-2-yl-naphthalen-2-yl]-3,8-bis(oxidanyl)-1-[(1-phenylethylamino)methylidene]-4-propan-2-yl-naphthalen-2-one
MOLECULAR FORMULA: C46H48N2O6
MOLECULAR WEIGHT: 724.88312
SMILES: CC1=C(C(=C2/C(=C/NC(C3=CC=CC=C3)C)/C(=O)C(=C(C2=C1)C(C)C)O)O)C4=C(C=C5C(=C(C(=O)/C(=C\NC(C6=CC=CC=C6)C)/C5=C4O)O)C(C)C)C
Structure:
CAS RN: 38079-04-8
CAS Name: (6Z)-6-[ethoxy(hydroxy)methylidene]benzofuran-4,5,7-trione
OPENEYE Name: (6Z)-6-[ethoxy(hydroxy)methylene]benzofuran-4,5,7-trione
IUPAC Name: (6Z)-6-[ethoxy(hydroxy)methylidene]-1-benzofuran-4,5,7-trione
SYSTEMATIC NAME: (6Z)-6-[ethoxy(oxidanyl)methylidene]-1-benzofuran-4,5,7-trione
MOLECULAR FORMULA: C11H8O6
MOLECULAR WEIGHT: 236.17762
SMILES: CCO/C(=C\1/C(=O)C2=C(C=CO2)C(=O)C1=O)/O
Structure:
CAS RN: 134332-63-1
CAS Name: 5-ethyl-2-methoxy-3-methyl-6-[2-[(E)-3-methyl-4-phenylbut-3-enyl]-4-oxazolyl]-4-pyranone
OPENEYE Name: 5-ethyl-2-methoxy-3-methyl-6-[2-[(E)-3-methyl-4-phenyl-but-3-enyl]oxazol-4-yl]pyran-4-one
IUPAC Name: 5-ethyl-2-methoxy-3-methyl-6-[2-[(E)-3-methyl-4-phenylbut-3-enyl]-1,3-oxazol-4-yl]pyran-4-one
SYSTEMATIC NAME: 5-ethyl-2-methoxy-3-methyl-6-[2-[(E)-3-methyl-4-phenyl-but-3-enyl]-1,3-oxazol-4-yl]pyran-4-one
MOLECULAR FORMULA: C23H25NO4
MOLECULAR WEIGHT: 379.4489
SMILES: CCC1=C(OC(=C(C1=O)C)OC)C2=COC(=N2)CC/C(=C/C3=CC=CC=C3)/C
Structure:
CAS RN: 135383-02-7
CAS Name: (2E,4E,6Z,8E,10E,14E)-13-hydroxy-N-(1-hydroxypropan-2-yl)-2,10,12,14,16-pentamethyl-18-phenyloctadeca-2,4,6,8,10,14-hexaenamide
OPENEYE Name: (2E,4E,6Z,8E,10E,14E)-13-hydroxy-N-(2-hydroxy-1-methyl-ethyl)-2,10,12,14,16-pentamethyl-18-phenyl-octadeca-2,4,6,8,10,14-hexaenamide
IUPAC Name: (2E,4E,6Z,8E,10E,14E)-13-hydroxy-N-(1-hydroxypropan-2-yl)-2,10,12,14,16-pentamethyl-18-phenyloctadeca-2,4,6,8,10,14-hexaenamide
SYSTEMATIC NAME: (2E,4E,6Z,8E,10E,14E)-2,10,12,14,16-pentamethyl-13-oxidanyl-N-(1-oxidanylpropan-2-yl)-18-phenyl-octadeca-2,4,6,8,10,14-hexaenamide
MOLECULAR FORMULA: C32H45NO3
MOLECULAR WEIGHT: 491.7046
SMILES: CC(CCC1=CC=CC=C1)/C=C(\C)/C(C(C)/C=C(\C)/C=C/C=C\C=C\C=C(/C)\C(=O)NC(C)CO)O
Structure:
CAS RN: 108536-24-9
CAS Name: N-[(Z)-2-(2,5-dihydroxyphenyl)ethenyl]formamide
OPENEYE Name: N-[(Z)-2-(2,5-dihydroxyphenyl)vinyl]formamide
IUPAC Name: N-[(Z)-2-(2,5-dihydroxyphenyl)ethenyl]formamide
SYSTEMATIC NAME: N-[(Z)-2-[2,5-bis(oxidanyl)phenyl]ethenyl]methanamide
MOLECULAR FORMULA: C9H9NO3
MOLECULAR WEIGHT: 179.17266
SMILES: C1=CC(=C(C=C1O)/C=C\NC=O)O
Structure:
CAS RN: 4945-64-6
CAS Name: 2-[(3-chloro-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-1-hydroxyguanidine
OPENEYE Name: 2-[(3-chloro-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-1-hydroxy-guanidine
IUPAC Name: 2-[(3-chloro-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-1-hydroxyguanidine
SYSTEMATIC NAME: 2-[(3-chloranyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-1-oxidanyl-guanidine
MOLECULAR FORMULA: C9H11ClN4O3
MOLECULAR WEIGHT: 258.66164
SMILES: COC1=CC(=CNN=C(N)NO)C=C(C1=O)Cl
Structure:
CAS RN: 165549-70-2
CAS Name: N-[3-[(E)-but-2-enoxy]-4-chlorophenyl]carbamothioic acid O-propan-2-yl ester
OPENEYE Name: O-isopropyl N-[3-[(E)-but-2-enoxy]-4-chloro-phenyl]carbamothioate
IUPAC Name: O-propan-2-yl N-[3-[(E)-but-2-enoxy]-4-chlorophenyl]carbamothioate
SYSTEMATIC NAME: O-propan-2-yl N-[3-[(E)-but-2-enoxy]-4-chloranyl-phenyl]carbamothioate
MOLECULAR FORMULA: C14H18ClNO2S
MOLECULAR WEIGHT: 299.81622
SMILES: C/C=C/COC1=C(C=CC(=C1)NC(=S)OC(C)C)Cl
Structure:
CAS RN: 165549-67-7
CAS Name: N-[3-[(Z)-but-2-enoxy]-4-chlorophenyl]carbamothioic acid O-propan-2-yl ester
OPENEYE Name: O-isopropyl N-[3-[(Z)-but-2-enoxy]-4-chloro-phenyl]carbamothioate
IUPAC Name: O-propan-2-yl N-[3-[(Z)-but-2-enoxy]-4-chlorophenyl]carbamothioate
SYSTEMATIC NAME: O-propan-2-yl N-[3-[(Z)-but-2-enoxy]-4-chloranyl-phenyl]carbamothioate
MOLECULAR FORMULA: C14H18ClNO2S
MOLECULAR WEIGHT: 299.81622
SMILES: C/C=C\COC1=C(C=CC(=C1)NC(=S)OC(C)C)Cl
Structure:
CAS RN: 5345-40-4
CAS Name: (E)-3-(2-nitrophenyl)-2-phenyl-2-propenoic acid
OPENEYE Name: (E)-3-(2-nitrophenyl)-2-phenyl-prop-2-enoic acid
IUPAC Name: (E)-3-(2-nitrophenyl)-2-phenylprop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(2-nitrophenyl)-2-phenyl-prop-2-enoic acid
MOLECULAR FORMULA: C15H11NO4
MOLECULAR WEIGHT: 269.25214
SMILES: C1=CC=C(C=C1)/C(=C\C2=CC=CC=C2[N+](=O)[O-])/C(=O)O
Structure:
CAS RN: 126598-39-8
CAS Name: 2-methyl-5,5-dioxo-3H-pyridazino[4,5-b][1,4]benzothiazin-1-one
OPENEYE Name: 2-methyl-5,5-dioxo-3H-pyridazino[4,5-b][1,4]benzothiazin-1-one
IUPAC Name: 2-methyl-5,5-dioxo-3H-pyridazino[4,5-b][1,4]benzothiazin-1-one
SYSTEMATIC NAME: 2-methyl-5,5-bis(oxidanylidene)-3H-pyridazino[4,5-b][1,4]benzothiazin-1-one
MOLECULAR FORMULA: C11H9N3O3S
MOLECULAR WEIGHT: 263.27246
SMILES: CN1C(=O)C2=NC3=CC=CC=C3S(=O)(=O)C2=CN1
Structure:
CAS RN: 2052-75-7
CAS Name: (Z)-2,3-bis[4-[2-(diethylamino)ethoxy]phenyl]-2-propenenitrile
OPENEYE Name: (Z)-2,3-bis[4-[2-(diethylamino)ethoxy]phenyl]prop-2-enenitrile
IUPAC Name: (Z)-2,3-bis[4-[2-(diethylamino)ethoxy]phenyl]prop-2-enenitrile
SYSTEMATIC NAME: (Z)-2,3-bis[4-[2-(diethylamino)ethoxy]phenyl]prop-2-enenitrile
MOLECULAR FORMULA: C27H37N3O2
MOLECULAR WEIGHT: 435.60158
SMILES: CCN(CC)CCOC1=CC=C(C=C1)/C=C(\C#N)/C2=CC=C(C=C2)OCCN(CC)CC
Structure:
CAS RN: 126262-10-0
CAS Name: (2Z)-2-[5-hydroxy-4-(4-methyloctyl)-3-oxo-2-furanylidene]acetic acid
OPENEYE Name: (2Z)-2-[5-hydroxy-4-(4-methyloctyl)-3-oxo-2-furylidene]acetic acid
IUPAC Name: (2Z)-2-[5-hydroxy-4-(4-methyloctyl)-3-oxofuran-2-ylidene]acetic acid
SYSTEMATIC NAME: (2Z)-2-[4-(4-methyloctyl)-5-oxidanyl-3-oxidanylidene-furan-2-ylidene]ethanoic acid
MOLECULAR FORMULA: C15H22O5
MOLECULAR WEIGHT: 282.33218
SMILES: CCCCC(C)CCCC1=C(O/C(=C\C(=O)O)/C1=O)O
Structure:
CAS RN: 13372-77-5
CAS Name: (1E,2Z)-3,7-dimethylocta-2,6-dienal oxime
OPENEYE Name: (1E,2Z)-3,7-dimethylocta-2,6-dienal oxime
IUPAC Name: (NE)-N-[(2Z)-3,7-dimethylocta-2,6-dienylidene]hydroxylamine
SYSTEMATIC NAME: (NE)-N-[(2Z)-3,7-dimethylocta-2,6-dienylidene]hydroxylamine
MOLECULAR FORMULA: C10H17NO
MOLECULAR WEIGHT: 167.24808
SMILES: CC(=CCC/C(=C\C=N\O)/C)C
Structure:
CAS RN: 23784-20-5
CAS Name: (E)-2-butenethioic acid S-(2-acetamidoethyl) ester
OPENEYE Name: S-(2-acetamidoethyl) (E)-but-2-enethioate
IUPAC Name: S-(2-acetamidoethyl) (E)-but-2-enethioate
SYSTEMATIC NAME: S-(2-acetamidoethyl) (E)-but-2-enethioate
MOLECULAR FORMULA: C8H13NO2S
MOLECULAR WEIGHT: 187.25932
SMILES: C/C=C/C(=O)SCCNC(=O)C
Structure:
CAS RN: 67192-51-2
CAS Name: 2-[(1E,3E)-5-ethoxy-3-methyl-5-oxopenta-1,3-dienyl]-1,3-dimethyl-4-oxo-1-cyclohex-2-enecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-[(1E,3E)-5-ethoxy-3-methyl-5-oxo-penta-1,3-dienyl]-1,3-dimethyl-4-oxo-cyclohex-2-ene-1-carboxylate
IUPAC Name: ethyl 2-[(1E,3E)-5-ethoxy-3-methyl-5-oxopenta-1,3-dienyl]-1,3-dimethyl-4-oxocyclohex-2-ene-1-carboxylate
SYSTEMATIC NAME: ethyl 2-[(1E,3E)-5-ethoxy-3-methyl-5-oxidanylidene-penta-1,3-dienyl]-1,3-dimethyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate
MOLECULAR FORMULA: C19H26O5
MOLECULAR WEIGHT: 334.40674
SMILES: CCOC(=O)/C=C(\C)/C=C/C1=C(C(=O)CCC1(C)C(=O)OCC)C
Structure:
CAS RN: 7250-85-3
CAS Name: (E)-1,4-diethoxy-2-butene
OPENEYE Name: (E)-1,4-diethoxybut-2-ene
IUPAC Name: (E)-1,4-diethoxybut-2-ene
SYSTEMATIC NAME: (E)-1,4-diethoxybut-2-ene
MOLECULAR FORMULA: C8H16O2
MOLECULAR WEIGHT: 144.21144
SMILES: CCOC/C=C/COCC
Structure:
CAS RN: 24139-56-8
CAS Name: (2E,4E)-2-cyano-5-phenylpenta-2,4-dienoic acid ethyl ester
OPENEYE Name: ethyl (2E,4E)-2-cyano-5-phenyl-penta-2,4-dienoate
IUPAC Name: ethyl (2E,4E)-2-cyano-5-phenylpenta-2,4-dienoate
SYSTEMATIC NAME: ethyl (2E,4E)-2-cyano-5-phenyl-penta-2,4-dienoate
MOLECULAR FORMULA: C14H13NO2
MOLECULAR WEIGHT: 227.25852
SMILES: CCOC(=O)/C(=C/C=C/C1=CC=CC=C1)/C#N
Structure:
CAS RN: 24667-67-2
CAS Name: (2E,4E)-2-cyano-5-phenylpenta-2,4-dienoic acid ethyl ester
OPENEYE Name: ethyl (2E,4E)-2-cyano-5-phenyl-penta-2,4-dienoate
IUPAC Name: ethyl (2E,4E)-2-cyano-5-phenylpenta-2,4-dienoate
SYSTEMATIC NAME: ethyl (2E,4E)-2-cyano-5-phenyl-penta-2,4-dienoate
MOLECULAR FORMULA: C14H13NO2
MOLECULAR WEIGHT: 227.25852
SMILES: CCOC(=O)/C(=C/C=C/C1=CC=CC=C1)/C#N
Structure:
CAS RN: 104715-66-4
CAS Name: N-(4-butylphenyl)-6-chloro-7H-purin-2-amine
OPENEYE Name: N-(4-butylphenyl)-6-chloro-7H-purin-2-amine
IUPAC Name: N-(4-butylphenyl)-6-chloro-7H-purin-2-amine
SYSTEMATIC NAME: N-(4-butylphenyl)-6-chloranyl-7H-purin-2-amine
MOLECULAR FORMULA: C15H16ClN5
MOLECULAR WEIGHT: 301.77404
SMILES: CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)Cl)NC=N3
Structure:
CAS RN: 75187-63-2
CAS Name: 7,8-dihydroxy-3-(4-hydroxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 7,8-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
IUPAC Name: 7,8-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
SYSTEMATIC NAME: 3-(4-hydroxyphenyl)-7,8-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C15H10O5
MOLECULAR WEIGHT: 270.2369
SMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3O)O)O
Structure:
CAS RN: 93655-95-9
CAS Name: 2-(1,3-benzodioxol-5-yl)-5-hydroxy-3,7-dimethoxy-1-benzopyran-4-one
OPENEYE Name: 2-(1,3-benzodioxol-5-yl)-5-hydroxy-3,7-dimethoxy-chromen-4-one
IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5-hydroxy-3,7-dimethoxychromen-4-one
SYSTEMATIC NAME: 2-(1,3-benzodioxol-5-yl)-3,7-dimethoxy-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C18H14O7
MOLECULAR WEIGHT: 342.29956
SMILES: COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC4=C(C=C3)OCO4)O
Structure:
CAS RN: 156306-84-2
CAS Name: 6,8-bis[[4-(dimethylamino)phenyl]methyl]-1,4-dihydroxy-7-benzo[7]annulenone
OPENEYE Name: 6,8-bis[[4-(dimethylamino)phenyl]methyl]-1,4-dihydroxy-benzo[7]annulen-7-one
IUPAC Name: 6,8-bis[[4-(dimethylamino)phenyl]methyl]-1,4-dihydroxybenzo[7]annulen-7-one
SYSTEMATIC NAME: 6,8-bis[[4-(dimethylamino)phenyl]methyl]-1,4-bis(oxidanyl)benzo[7]annulen-7-one
MOLECULAR FORMULA: C29H30N2O3
MOLECULAR WEIGHT: 454.5601
SMILES: CN(C)C1=CC=C(C=C1)CC2=CC3=C(C=CC(=C3C=C(C2=O)CC4=CC=C(C=C4)N(C)C)O)O
Structure:
CAS RN: 161798-25-0
CAS Name: 4-(bromomethyl)-7-hydroxy-1-benzopyran-2-one
OPENEYE Name: 4-(bromomethyl)-7-hydroxy-chromen-2-one
IUPAC Name: 4-(bromomethyl)-7-hydroxychromen-2-one
SYSTEMATIC NAME: 4-(bromomethyl)-7-oxidanyl-chromen-2-one
MOLECULAR FORMULA: C10H7BrO3
MOLECULAR WEIGHT: 255.06478
SMILES: C1=CC2=C(C=C1O)OC(=O)C=C2CBr
Structure:
CAS RN: 2860-05-1
CAS Name: 2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one oxime
OPENEYE Name: 2-phenylchroman-4-one oxime
IUPAC Name: (NE)-N-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydroxylamine
SYSTEMATIC NAME: (NE)-N-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydroxylamine
MOLECULAR FORMULA: C15H13NO2
MOLECULAR WEIGHT: 239.26922
SMILES: C\1C(OC2=CC=CC=C2/C1=N/O)C3=CC=CC=C3
Structure:
CAS RN: 1692-46-2
CAS Name: 2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one hydrazone
OPENEYE Name: 2-phenylchroman-4-one hydrazone
IUPAC Name: (E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazine
SYSTEMATIC NAME: (E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)diazane
MOLECULAR FORMULA: C15H14N2O
MOLECULAR WEIGHT: 238.28446
SMILES: C\1C(OC2=CC=CC=C2/C1=N/N)C3=CC=CC=C3
Structure:
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