CAS RN: 20413-05-2
CAS Name: (E)-2-benzoyl-3-phenyl-2-propenenitrile
OPENEYE Name: (E)-2-benzoyl-3-phenyl-prop-2-enenitrile
IUPAC Name: (E)-2-benzoyl-3-phenylprop-2-enenitrile
SYSTEMATIC NAME: (E)-3-phenyl-2-(phenylcarbonyl)prop-2-enenitrile
MOLECULAR FORMULA: C16H11NO
MOLECULAR WEIGHT: 233.26464
SMILES: C1=CC=C(C=C1)/C=C(\C#N)/C(=O)C2=CC=CC=C2
Structure:
CAS RN: 3343-59-7
CAS Name: (4E)-2-hydroxy-4-[(hydroxyamino)methylidene]-1-cyclohexa-2,5-dienone
OPENEYE Name: (4E)-2-hydroxy-4-[(hydroxyamino)methylene]cyclohexa-2,5-dien-1-one
IUPAC Name: (4E)-2-hydroxy-4-[(hydroxyamino)methylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: (4E)-2-oxidanyl-4-[(oxidanylamino)methylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C7H7NO3
MOLECULAR WEIGHT: 153.13538
SMILES: C\1=CC(=O)C(=C/C1=C/NO)O
Structure:
CAS RN: 126228-66-8
CAS Name: (2Z)-2-[5-hydroxy-4-[(E)-4-methyl-1-oxooct-2-enyl]-3-oxo-2-furanylidene]acetic acid
OPENEYE Name: (2Z)-2-[5-hydroxy-4-[(E)-4-methyloct-2-enoyl]-3-oxo-2-furylidene]acetic acid
IUPAC Name: (2Z)-2-[5-hydroxy-4-[(E)-4-methyloct-2-enoyl]-3-oxofuran-2-ylidene]acetic acid
SYSTEMATIC NAME: (2Z)-2-[4-[(E)-4-methyloct-2-enoyl]-5-oxidanyl-3-oxidanylidene-furan-2-ylidene]ethanoic acid
MOLECULAR FORMULA: C15H18O6
MOLECULAR WEIGHT: 294.29982
SMILES: CCCCC(C)/C=C/C(=O)C1=C(O/C(=C\C(=O)O)/C1=O)O
Structure:
CAS RN: 19016-67-2
CAS Name: (Z)-3-(2-nitrophenyl)-2-phenyl-2-propenenitrile
OPENEYE Name: (Z)-3-(2-nitrophenyl)-2-phenyl-prop-2-enenitrile
IUPAC Name: (Z)-3-(2-nitrophenyl)-2-phenylprop-2-enenitrile
SYSTEMATIC NAME: (Z)-3-(2-nitrophenyl)-2-phenyl-prop-2-enenitrile
MOLECULAR FORMULA: C15H10N2O2
MOLECULAR WEIGHT: 250.2521
SMILES: C1=CC=C(C=C1)/C(=C/C2=CC=CC=C2[N+](=O)[O-])/C#N
Structure:
CAS RN: 3300-67-2
CAS Name: (E)-3-(2-chlorophenyl)-1-phenyl-2-propen-1-one
OPENEYE Name: (E)-3-(2-chlorophenyl)-1-phenyl-prop-2-en-1-one
IUPAC Name: (E)-3-(2-chlorophenyl)-1-phenylprop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(2-chlorophenyl)-1-phenyl-prop-2-en-1-one
MOLECULAR FORMULA: C15H11ClO
MOLECULAR WEIGHT: 242.70024
SMILES: C1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2Cl
Structure:
CAS RN: 5706-20-7
CAS Name: (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-3H-inden-1-one
OPENEYE Name: (2E)-2-[[4-(dimethylamino)phenyl]methylene]indan-1-one
IUPAC Name: (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-3H-inden-1-one
SYSTEMATIC NAME: (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-3H-inden-1-one
MOLECULAR FORMULA: C18H17NO
MOLECULAR WEIGHT: 263.33368
SMILES: CN(C)C1=CC=C(C=C1)/C=C/2\CC3=CC=CC=C3C2=O
Structure:
CAS RN: 91047-77-7
CAS Name: (E)-3-(2-bromophenyl)-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3-(2-bromophenyl)prop-2-enoate
IUPAC Name: ethyl (E)-3-(2-bromophenyl)prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-(2-bromophenyl)prop-2-enoate
MOLECULAR FORMULA: C11H11BrO2
MOLECULAR WEIGHT: 255.10784
SMILES: CCOC(=O)/C=C/C1=CC=CC=C1Br
Structure:
CAS RN: 24393-54-2
CAS Name: (E)-3-(2-methoxyphenyl)-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3-(2-methoxyphenyl)prop-2-enoate
IUPAC Name: ethyl (E)-3-(2-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-(2-methoxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C12H14O3
MOLECULAR WEIGHT: 206.23776
SMILES: CCOC(=O)/C=C/C1=CC=CC=C1OC
Structure:
CAS RN: 33877-05-3
CAS Name: (E)-3-(2-methoxyphenyl)-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3-(2-methoxyphenyl)prop-2-enoate
IUPAC Name: ethyl (E)-3-(2-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-(2-methoxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C12H14O3
MOLECULAR WEIGHT: 206.23776
SMILES: CCOC(=O)/C=C/C1=CC=CC=C1OC
Structure:
CAS RN: 2419-67-2
CAS Name: (E)-1-(4-methoxyphenyl)-4,4-dimethyl-1-penten-3-one
OPENEYE Name: (E)-1-(4-methoxyphenyl)-4,4-dimethyl-pent-1-en-3-one
IUPAC Name: (E)-1-(4-methoxyphenyl)-4,4-dimethylpent-1-en-3-one
SYSTEMATIC NAME: (E)-1-(4-methoxyphenyl)-4,4-dimethyl-pent-1-en-3-one
MOLECULAR FORMULA: C14H18O2
MOLECULAR WEIGHT: 218.29152
SMILES: CC(C)(C)C(=O)/C=C/C1=CC=C(C=C1)OC
Structure:
CAS RN: 65995-64-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H22O22
MOLECULAR WEIGHT: 782.52528
SMILES: C1C2C(C(C(C(O2)O)O)O)OC(=O)C3=CC(=C(C(=C3C4=C(C(=C5C6=C4C(=O)OC7=C(C(=C(C8=C(C(=C(C=C8C(=O)O1)O)O)O)C(=C67)C(=O)O5)O)O)O)O)O)O)O
Structure:
CAS RN: 10592-13-9
CAS Name: (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione hydrochloride
OPENEYE Name: (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione hydrochloride
IUPAC Name: (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione hydrochloride
SYSTEMATIC NAME: (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-6-methyl-5,10,11,12a-tetrakis(oxidanyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione hydrochloride
MOLECULAR FORMULA: C22H25ClN2O8
MOLECULAR WEIGHT: 480.8955
SMILES: C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O.Cl
Structure:
CAS RN: 30435-51-9
CAS Name: 2,4-dinitro-N-[(Z)-4-phenylbutan-2-ylideneamino]aniline
OPENEYE Name: N-[(Z)-(1-methyl-3-phenyl-propylidene)amino]-2,4-dinitro-aniline
IUPAC Name: 2,4-dinitro-N-[(Z)-4-phenylbutan-2-ylideneamino]aniline
SYSTEMATIC NAME: 2,4-dinitro-N-[(Z)-4-phenylbutan-2-ylideneamino]aniline
MOLECULAR FORMULA: C16H16N4O4
MOLECULAR WEIGHT: 328.32264
SMILES: C/C(=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/CCC2=CC=CC=C2
Structure:
CAS RN: 22255-22-7
CAS Name: 1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
OPENEYE Name: 1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)vinyl]benzene
IUPAC Name: 1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
SYSTEMATIC NAME: 1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
MOLECULAR FORMULA: C17H18O3
MOLECULAR WEIGHT: 270.32302
SMILES: COC1=CC=C(C=C1)/C=C/C2=CC(=CC(=C2)OC)OC
Structure:
CAS RN: 53100-46-2
CAS Name: 3-methyl-2-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]butanoic acid
OPENEYE Name: 3-methyl-2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]butanoic acid
IUPAC Name: 3-methyl-2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]butanoic acid
SYSTEMATIC NAME: 3-methyl-2-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methylamino]butanoic acid
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 221.2524
SMILES: CC(C)C(C(=O)O)NC=C1C=CC=CC1=O
Structure:
CAS RN: 72719-90-5
CAS Name: (1E,5E)-7-(bromomethyl)-1,3,4,7,8-pentachloro-3-methylocta-1,5-diene
OPENEYE Name: (1E,5E)-7-(bromomethyl)-1,3,4,7,8-pentachloro-3-methyl-octa-1,5-diene
IUPAC Name: (1E,5E)-7-(bromomethyl)-1,3,4,7,8-pentachloro-3-methylocta-1,5-diene
SYSTEMATIC NAME: (1E,5E)-7-(bromomethyl)-1,3,4,7,8-pentakis(chloranyl)-3-methyl-octa-1,5-diene
MOLECULAR FORMULA: C10H12BrCl5
MOLECULAR WEIGHT: 389.37128
SMILES: CC(/C=C/Cl)(C(/C=C/C(CCl)(CBr)Cl)Cl)Cl
Structure:
CAS RN: 105372-81-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H13Br2N3O2
MOLECULAR WEIGHT: 463.12272
SMILES: C1CN=C2C3=C(C(=O)C4=C2C5(CCN4)C=C(C(=O)C(=C5)Br)Br)NC=C31
Structure:
CAS RN: 141992-44-1
CAS Name: 10-[2-(diethylamino)ethyl]-1,4-dihydroxy-9-acridinone
OPENEYE Name: 10-[2-(diethylamino)ethyl]-1,4-dihydroxy-acridin-9-one
IUPAC Name: 10-[2-(diethylamino)ethyl]-1,4-dihydroxyacridin-9-one
SYSTEMATIC NAME: 10-[2-(diethylamino)ethyl]-1,4-bis(oxidanyl)acridin-9-one
MOLECULAR FORMULA: C19H22N2O3
MOLECULAR WEIGHT: 326.38958
SMILES: CCN(CC)CCN1C2=CC=CC=C2C(=O)C3=C(C=CC(=C31)O)O
Structure:
CAS RN: 96460-79-6
CAS Name: 1,4-dihydroxy-10H-acridin-9-one
OPENEYE Name: 1,4-dihydroxy-10H-acridin-9-one
IUPAC Name: 1,4-dihydroxy-10H-acridin-9-one
SYSTEMATIC NAME: 1,4-bis(oxidanyl)-10H-acridin-9-one
MOLECULAR FORMULA: C13H9NO3
MOLECULAR WEIGHT: 227.21546
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3N2)O)O
Structure:
CAS RN: 3414-96-8
CAS Name: 4-(5-sulfanylidene-1,2,4-triazolidin-3-ylidene)-1-cyclohexa-2,5-dienone
OPENEYE Name: 4-(5-thioxo-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one
IUPAC Name: 4-(5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-(5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C8H7N3OS
MOLECULAR WEIGHT: 193.22568
SMILES: C1=CC(=O)C=CC1=C2NC(=S)NN2
Structure:
CAS RN: 22571-65-9
CAS Name: 1-[(Z)-5-hydroxy-3-(hydroxymethyl)pent-3-enyl]-1-(hydroxymethyl)-2,5-dimethyl-2,3,4,7,8,8a-hexahydroazulene-3a-carboxaldehyde
OPENEYE Name: 1-[(Z)-5-hydroxy-3-(hydroxymethyl)pent-3-enyl]-1-(hydroxymethyl)-2,5-dimethyl-2,3,4,7,8,8a-hexahydroazulene-3a-carbaldehyde
IUPAC Name: 1-[(Z)-5-hydroxy-3-(hydroxymethyl)pent-3-enyl]-1-(hydroxymethyl)-2,5-dimethyl-2,3,4,7,8,8a-hexahydroazulene-3a-carbaldehyde
SYSTEMATIC NAME: 1-(hydroxymethyl)-1-[(Z)-3-(hydroxymethyl)-5-oxidanyl-pent-3-enyl]-2,5-dimethyl-2,3,4,7,8,8a-hexahydroazulene-3a-carbaldehyde
MOLECULAR FORMULA: C20H32O4
MOLECULAR WEIGHT: 336.46568
SMILES: CC1CC2(CC(=CCCC2C1(CC/C(=C/CO)/CO)CO)C)C=O
Structure:
CAS RN: 122898-63-9
CAS Name: 5-[(E)-5-(2,2-dimethyl-6-methylenecyclohexyl)-3-methylpent-2-enyl]-1-phenazinone
OPENEYE Name: 5-[(E)-5-(2,2-dimethyl-6-methylene-cyclohexyl)-3-methyl-pent-2-enyl]phenazin-1-one
IUPAC Name: 5-[(E)-5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpent-2-enyl]phenazin-1-one
SYSTEMATIC NAME: 5-[(E)-5-(2,2-dimethyl-6-methylidene-cyclohexyl)-3-methyl-pent-2-enyl]phenazin-1-one
MOLECULAR FORMULA: C27H32N2O
MOLECULAR WEIGHT: 400.55578
SMILES: C/C(=C\CN1C2=CC=CC=C2N=C3C1=CC=CC3=O)/CCC4C(=C)CCCC4(C)C
Structure:
CAS RN: 107368-93-4
CAS Name: (8S)-5-[(E)-but-1-enyl]-6,8-dimethyl-1,6,7,8-tetrahydrocyclopenta[g]indole
OPENEYE Name: (8S)-5-[(E)-but-1-enyl]-6,8-dimethyl-1,6,7,8-tetrahydrocyclopenta[g]indole
IUPAC Name: (8S)-5-[(E)-but-1-enyl]-6,8-dimethyl-1,6,7,8-tetrahydrocyclopenta[g]indole
SYSTEMATIC NAME: (8S)-5-[(E)-but-1-enyl]-6,8-dimethyl-1,6,7,8-tetrahydrocyclopenta[g]indole
MOLECULAR FORMULA: C17H21N
MOLECULAR WEIGHT: 239.35534
SMILES: CC/C=C/C1=C2C(C[C@@H](C2=C3C(=C1)C=CN3)C)C
Structure:
CAS RN: 63555-48-6
CAS Name: (3S,3aR)-5-[(E)-5-(3-furanyl)-2-methylpent-1-enyl]-5'-hydroxy-3,4',7-trimethyl-3'-spiro[1,2,3,3a,5,7a-hexahydroindene-4,2'-furan]one
OPENEYE Name: (3S,3aR)-5-[(E)-5-(3-furyl)-2-methyl-pent-1-enyl]-5'-hydroxy-3,4',7-trimethyl-spiro[1,2,3,3a,5,7a-hexahydroindene-4,2'-furan]-3'-one
IUPAC Name: (3S,3aR)-5-[(E)-5-(furan-3-yl)-2-methylpent-1-enyl]-5'-hydroxy-3,4',7-trimethylspiro[1,2,3,3a,5,7a-hexahydroindene-4,2'-furan]-3'-one
SYSTEMATIC NAME: (3S,3aR)-5-[(E)-5-(furan-3-yl)-2-methyl-pent-1-enyl]-3,4',7-trimethyl-5'-oxidanyl-spiro[1,2,3,3a,5,7a-hexahydroindene-4,2'-furan]-3'-one
MOLECULAR FORMULA: C25H32O4
MOLECULAR WEIGHT: 396.51918
SMILES: C[C@H]1CCC2[C@@H]1C3(C(C=C2C)/C=C(\C)/CCCC4=COC=C4)C(=O)C(=C(O3)O)C
Structure:
CAS RN: 103538-03-0
CAS Name: acetic acid [3,4-dihydroxy-2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phenyl] ester
OPENEYE Name: [3,4-dihydroxy-2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phenyl] acetate
IUPAC Name: [3,4-dihydroxy-2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phenyl] acetate
SYSTEMATIC NAME: [3,4-bis(oxidanyl)-2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phenyl] ethanoate
MOLECULAR FORMULA: C28H40O4
MOLECULAR WEIGHT: 440.6148
SMILES: CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C=CC(=C1O)O)OC(=O)C)/C)/C)/C)C
Structure:
CAS RN: 117032-57-2
CAS Name: 1-[(E)-but-2-en-2-yl]-8-chloro-3,9-dihydroxy-4,7-dimethyl-6-benzo[b][1,4]benzodioxepinone
OPENEYE Name: 8-chloro-3,9-dihydroxy-4,7-dimethyl-1-[(E)-1-methylprop-1-enyl]benzo[b][1,4]benzodioxepin-6-one
IUPAC Name: 1-[(E)-but-2-en-2-yl]-8-chloro-3,9-dihydroxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one
SYSTEMATIC NAME: 1-[(E)-but-2-en-2-yl]-8-chloranyl-4,7-dimethyl-3,9-bis(oxidanyl)benzo[b][1,4]benzodioxepin-6-one
MOLECULAR FORMULA: C19H17ClO5
MOLECULAR WEIGHT: 360.78828
SMILES: C/C=C(\C)/C1=CC(=C(C2=C1OC3=CC(=C(C(=C3C(=O)O2)C)Cl)O)C)O
Structure:
CAS RN: 115444-43-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H32N4O3
MOLECULAR WEIGHT: 520.62148
SMILES: CC1(/C=C\N2/C(=C\C3=C1NC4=CC=CC=C43)/C(=O)N5[C@@H](C2=O)C[C@@]6([C@H]5N(C7=CC=CC=C76)C(C)(C)C=C)O)C
Structure:
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