CAS RN: 4341-57-5
CAS Name: [(5-iodo-2-oxo-3-indolyl)amino]thiourea
OPENEYE Name: [(5-iodo-2-oxo-indol-3-yl)amino]thiourea
IUPAC Name: [(5-iodo-2-oxoindol-3-yl)amino]thiourea
SYSTEMATIC NAME: 1-[(5-iodanyl-2-oxidanylidene-indol-3-yl)amino]thiourea
MOLECULAR FORMULA: C9H7IN4OS
MOLECULAR WEIGHT: 346.14755
SMILES: C1=CC2=NC(=O)C(=C2C=C1I)NNC(=S)N
Structure:
CAS RN: 15486-33-6
CAS Name: 3,5-dihydroxy-7-methoxy-2-(4-methoxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 3,5-dihydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
IUPAC Name: 3,5-dihydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 7-methoxy-2-(4-methoxyphenyl)-3,5-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C17H14O6
MOLECULAR WEIGHT: 314.28946
SMILES: COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)O
Structure:
CAS RN: 339-16-2
CAS Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid methyl ester
OPENEYE Name: methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
IUPAC Name: methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
SYSTEMATIC NAME: methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
MOLECULAR FORMULA: C21H30O2
MOLECULAR WEIGHT: 314.4617
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)OC)/C)/C
Structure:
CAS RN: 9005-07-6
CAS Name: (Z)-9-octadecenoic acid 2-[(Z)-1-oxooctadec-9-enoxy]ethyl ester
OPENEYE Name: 2-[(Z)-octadec-9-enoyl]oxyethyl (Z)-octadec-9-enoate
IUPAC Name: 2-[(Z)-octadec-9-enoyl]oxyethyl (Z)-octadec-9-enoate
SYSTEMATIC NAME: 2-[(Z)-octadec-9-enoyl]oxyethyl (Z)-octadec-9-enoate
MOLECULAR FORMULA: C38H70O4
MOLECULAR WEIGHT: 590.96
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCCOC(=O)CCCCCCC/C=C\CCCCCCCC
Structure:
CAS RN: 27067-70-5
CAS Name: 6,11-dihydroxy-3,3,12-trimethyl-7-pyrano[2,3-c]acridinone
OPENEYE Name: 6,11-dihydroxy-3,3,12-trimethyl-pyrano[2,3-c]acridin-7-one
IUPAC Name: 6,11-dihydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one
SYSTEMATIC NAME: 3,3,12-trimethyl-6,11-bis(oxidanyl)pyrano[2,3-c]acridin-7-one
MOLECULAR FORMULA: C19H17NO4
MOLECULAR WEIGHT: 323.34258
SMILES: CC1(C=CC2=C3C(=C(C=C2O1)O)C(=O)C4=C(N3C)C(=CC=C4)O)C
Structure:
CAS RN: 123089-28-1
CAS Name: (E)-1-arsoroso-2-chloroethene
OPENEYE Name: (E)-1-arsoroso-2-chloro-ethylene
IUPAC Name: (E)-1-arsoroso-2-chloroethene
SYSTEMATIC NAME: (E)-1-arsoroso-2-chloranyl-ethene
MOLECULAR FORMULA: C2H2AsClO
MOLECULAR WEIGHT: 152.41128
SMILES: C(=C/[As]=O)\Cl
Structure:
CAS RN: 3088-37-7
CAS Name: (E)-1-arsoroso-2-chloroethene
OPENEYE Name: (E)-1-arsoroso-2-chloro-ethylene
IUPAC Name: (E)-1-arsoroso-2-chloroethene
SYSTEMATIC NAME: (E)-1-arsoroso-2-chloranyl-ethene
MOLECULAR FORMULA: C2H2AsClO
MOLECULAR WEIGHT: 152.41128
SMILES: C(=C/[As]=O)\Cl
Structure:
CAS RN: 2702-44-5
CAS Name: 4-[(E)-2-(5,6-dimethyl-1,3-benzoxazol-2-yl)ethenyl]benzoic acid methyl ester
OPENEYE Name: methyl 4-[(E)-2-(5,6-dimethyl-1,3-benzoxazol-2-yl)vinyl]benzoate
IUPAC Name: methyl 4-[(E)-2-(5,6-dimethyl-1,3-benzoxazol-2-yl)ethenyl]benzoate
SYSTEMATIC NAME: methyl 4-[(E)-2-(5,6-dimethyl-1,3-benzoxazol-2-yl)ethenyl]benzoate
MOLECULAR FORMULA: C19H17NO3
MOLECULAR WEIGHT: 307.34318
SMILES: CC1=CC2=C(C=C1C)OC(=N2)/C=C/C3=CC=C(C=C3)C(=O)OC
Structure:
CAS RN: 60324-59-6
CAS Name: (Z)-3-(4-bromophenyl)-N-methyl-3-(3-pyridinyl)-2-propen-1-amine
OPENEYE Name: (Z)-3-(4-bromophenyl)-N-methyl-3-(3-pyridyl)prop-2-en-1-amine
IUPAC Name: (Z)-3-(4-bromophenyl)-N-methyl-3-pyridin-3-ylprop-2-en-1-amine
SYSTEMATIC NAME: (Z)-3-(4-bromophenyl)-N-methyl-3-pyridin-3-yl-prop-2-en-1-amine
MOLECULAR FORMULA: C15H15BrN2
MOLECULAR WEIGHT: 303.197
SMILES: CNC/C=C(/C1=CC=C(C=C1)Br)\C2=CN=CC=C2
Structure:
CAS RN: 21637-25-2
CAS Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]-3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C21H20O12
MOLECULAR WEIGHT: 464.3763
SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O
Structure:
CAS RN: 482-35-9
CAS Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]-3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C21H20O12
MOLECULAR WEIGHT: 464.3763
SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O
Structure:
CAS RN: 1160-78-7
CAS Name: 4-[[(2,4-dinitrophenyl)hydrazo]methylidene]-1-cyclohexa-2,5-dienone
OPENEYE Name: 4-[[2-(2,4-dinitrophenyl)hydrazino]methylene]cyclohexa-2,5-dien-1-one
IUPAC Name: 4-[[2-(2,4-dinitrophenyl)hydrazinyl]methylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-[[2-(2,4-dinitrophenyl)hydrazinyl]methylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C13H10N4O5
MOLECULAR WEIGHT: 302.2423
SMILES: C1=CC(=O)C=CC1=CNNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 1160-76-5
CAS Name: (6E)-6-[[(2,4-dinitrophenyl)hydrazo]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6E)-6-[[2-(2,4-dinitrophenyl)hydrazino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6E)-6-[[2-(2,4-dinitrophenyl)hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6E)-6-[[2-(2,4-dinitrophenyl)hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C13H10N4O5
MOLECULAR WEIGHT: 302.2423
SMILES: C1=C/C(=C\NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/C(=O)C=C1
Structure:
CAS RN: 4347-99-3
CAS Name: (1E,4E)-1,5-bis(4-chlorophenyl)-3-penta-1,4-dienone
OPENEYE Name: (1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one
IUPAC Name: (1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one
SYSTEMATIC NAME: (1E,4E)-1,5-bis(4-chlorophenyl)penta-1,4-dien-3-one
MOLECULAR FORMULA: C17H12Cl2O
MOLECULAR WEIGHT: 303.18258
SMILES: C1=CC(=CC=C1/C=C/C(=O)/C=C/C2=CC=C(C=C2)Cl)Cl
Structure:
CAS RN: 1677-87-8
CAS Name: 2,4-dinitro-N-[(Z)-1-phenylethylideneamino]aniline
OPENEYE Name: 2,4-dinitro-N-[(Z)-1-phenylethylideneamino]aniline
IUPAC Name: 2,4-dinitro-N-[(Z)-1-phenylethylideneamino]aniline
SYSTEMATIC NAME: 2,4-dinitro-N-[(Z)-1-phenylethylideneamino]aniline
MOLECULAR FORMULA: C14H12N4O4
MOLECULAR WEIGHT: 300.26948
SMILES: C/C(=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/C2=CC=CC=C2
Structure:
CAS RN: 33513-36-9
CAS Name: 2-(3,4-dimethoxyphenyl)-7-hydroxy-1-benzopyran-4-one
OPENEYE Name: 2-(3,4-dimethoxyphenyl)-7-hydroxy-chromen-4-one
IUPAC Name: 2-(3,4-dimethoxyphenyl)-7-hydroxychromen-4-one
SYSTEMATIC NAME: 2-(3,4-dimethoxyphenyl)-7-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C17H14O5
MOLECULAR WEIGHT: 298.29006
SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)O)OC
Structure:
CAS RN: 10374-80-8
CAS Name: 4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoic acid methyl ester
OPENEYE Name: methyl 4-[(E)-2-(4-methoxycarbonylphenyl)vinyl]benzoate
IUPAC Name: methyl 4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoate
SYSTEMATIC NAME: methyl 4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoate
MOLECULAR FORMULA: C18H16O4
MOLECULAR WEIGHT: 296.31724
SMILES: COC(=O)C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)C(=O)OC
Structure:
CAS RN: 1161-22-4
CAS Name: (E)-1,3-bis[4-(dimethylamino)phenyl]-2-propen-1-one
OPENEYE Name: (E)-1,3-bis[4-(dimethylamino)phenyl]prop-2-en-1-one
IUPAC Name: (E)-1,3-bis[4-(dimethylamino)phenyl]prop-2-en-1-one
SYSTEMATIC NAME: (E)-1,3-bis[4-(dimethylamino)phenyl]prop-2-en-1-one
MOLECULAR FORMULA: C19H22N2O
MOLECULAR WEIGHT: 294.39078
SMILES: CN(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)N(C)C
Structure:
CAS RN: 13022-20-3
CAS Name: 2-[(E)-2-(5-nitro-2-furanyl)ethenyl]-4-quinolinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-[(E)-2-(5-nitro-2-furyl)vinyl]quinoline-4-carboxylate
IUPAC Name: ethyl 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxylate
SYSTEMATIC NAME: ethyl 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxylate
MOLECULAR FORMULA: C18H14N2O5
MOLECULAR WEIGHT: 338.31416
SMILES: CCOC(=O)C1=CC(=NC2=CC=CC=C21)/C=C/C3=CC=C(O3)[N+](=O)[O-]
Structure:
CAS RN: 32624-40-1
CAS Name: 4-[(2E)-2-(2-oxo-1-naphthalenylidene)hydrazinyl]benzoic acid
OPENEYE Name: 4-[(2E)-2-(2-oxo-1-naphthylidene)hydrazino]benzoic acid
IUPAC Name: 4-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzoic acid
SYSTEMATIC NAME: 4-[(2E)-2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]benzoic acid
MOLECULAR FORMULA: C17H12N2O3
MOLECULAR WEIGHT: 292.28878
SMILES: C1=CC=C\2C(=C1)C=CC(=O)/C2=N/NC3=CC=C(C=C3)C(=O)O
Structure:
CAS RN: 14275-61-7
CAS Name: tributyl-[(E)-2-tributylstannylethenyl]stannane
OPENEYE Name: tributyl-[(E)-2-tributylstannylvinyl]stannane
IUPAC Name: tributyl-[(E)-2-tributylstannylethenyl]stannane
SYSTEMATIC NAME: tributyl-[(E)-2-tributylstannylethenyl]stannane
MOLECULAR FORMULA: C26H56Sn2
MOLECULAR WEIGHT: 606.14284
SMILES: CCCC[Sn](CCCC)(CCCC)/C=C/[Sn](CCCC)(CCCC)CCCC
Structure:
CAS RN: 899-98-9
CAS Name: (2E,7E)-2,7-bis(phenylmethylene)-1-cycloheptanone
OPENEYE Name: (2E,7E)-2,7-dibenzylidenecycloheptanone
IUPAC Name: (2E,7E)-2,7-dibenzylidenecycloheptan-1-one
SYSTEMATIC NAME: (2E,7E)-2,7-bis(phenylmethylidene)cycloheptan-1-one
MOLECULAR FORMULA: C21H20O
MOLECULAR WEIGHT: 288.3829
SMILES: C1C/C(=C\C2=CC=CC=C2)/C(=O)/C(=C/C3=CC=CC=C3)/CC1
Structure:
CAS RN: 27267-69-2
CAS Name: 7,8-dihydroxy-6-[2-(8-hydroxy-5,7-dimethoxy-4,9-dioxo-2-benzo[f]benzofuranyl)ethyl]-1-oxo-2-benzopyran-3-carboxylic acid methyl ester
OPENEYE Name: methyl 7,8-dihydroxy-6-[2-(8-hydroxy-5,7-dimethoxy-4,9-dioxo-benzo[f]benzofuran-2-yl)ethyl]-1-oxo-isochromene-3-carboxylate
IUPAC Name: methyl 7,8-dihydroxy-6-[2-(8-hydroxy-5,7-dimethoxy-4,9-dioxobenzo[f][1]benzofuran-2-yl)ethyl]-1-oxoisochromene-3-carboxylate
SYSTEMATIC NAME: methyl 6-[2-[5,7-dimethoxy-8-oxidanyl-4,9-bis(oxidanylidene)benzo[f][1]benzofuran-2-yl]ethyl]-7,8-bis(oxidanyl)-1-oxidanylidene-isochromene-3-carboxylate
MOLECULAR FORMULA: C27H20O12
MOLECULAR WEIGHT: 536.4405
SMILES: COC1=CC(=C(C2=C1C(=O)C3=C(C2=O)OC(=C3)CCC4=C(C(=C5C(=C4)C=C(OC5=O)C(=O)OC)O)O)O)OC
Structure:
CAS RN: 17505-25-8
CAS Name: 5-[(E)-1-(2-furanyl)-2-(5-nitro-2-furanyl)ethenyl]-1,3,4-oxadiazol-2-amine
OPENEYE Name: 5-[(E)-1-(2-furyl)-2-(5-nitro-2-furyl)vinyl]-1,3,4-oxadiazol-2-amine
IUPAC Name: 5-[(E)-1-(furan-2-yl)-2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-oxadiazol-2-amine
SYSTEMATIC NAME: 5-[(E)-1-(furan-2-yl)-2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-oxadiazol-2-amine
MOLECULAR FORMULA: C12H8N4O5
MOLECULAR WEIGHT: 288.21572
SMILES: C1=COC(=C1)/C(=C\C2=CC=C(O2)[N+](=O)[O-])/C3=NN=C(O3)N
Structure:
CAS RN: 120500-90-5
CAS Name: 1,4-diphenyl-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
OPENEYE Name: 1,4-diphenyl-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
IUPAC Name: 1,4-diphenyl-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
SYSTEMATIC NAME: 1,4-diphenyl-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
MOLECULAR FORMULA: C18H12N2O2
MOLECULAR WEIGHT: 288.30008
SMILES: C1=CC=C(C=C1)C2=C3C(=C(NC3=O)C4=CC=CC=C4)C(=O)N2
Structure:
CAS RN: 54660-00-3
CAS Name: 1,4-diphenyl-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
OPENEYE Name: 1,4-diphenyl-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
IUPAC Name: 1,4-diphenyl-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
SYSTEMATIC NAME: 1,4-diphenyl-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
MOLECULAR FORMULA: C18H12N2O2
MOLECULAR WEIGHT: 288.30008
SMILES: C1=CC=C(C=C1)C2=C3C(=C(NC3=O)C4=CC=CC=C4)C(=O)N2
Structure:
CAS RN: 790240-37-8
CAS Name: 1,4-diphenyl-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
OPENEYE Name: 1,4-diphenyl-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
IUPAC Name: 1,4-diphenyl-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
SYSTEMATIC NAME: 1,4-diphenyl-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
MOLECULAR FORMULA: C18H12N2O2
MOLECULAR WEIGHT: 288.30008
SMILES: C1=CC=C(C=C1)C2=C3C(=C(NC3=O)C4=CC=CC=C4)C(=O)N2
Structure:
CAS RN: 580-74-5
CAS Name: 4-[(1Z,3Z)-4-(4-hydroxyphenyl)-2,3-diisocyanobuta-1,3-dienyl]phenol
OPENEYE Name: 4-[(1Z,3Z)-4-(4-hydroxyphenyl)-2,3-diisocyano-buta-1,3-dienyl]phenol
IUPAC Name: 4-[(1Z,3Z)-4-(4-hydroxyphenyl)-2,3-diisocyanobuta-1,3-dienyl]phenol
SYSTEMATIC NAME: 4-[(1Z,3Z)-4-(4-hydroxyphenyl)-2,3-diisocyano-buta-1,3-dienyl]phenol
MOLECULAR FORMULA: C18H12N2O2
MOLECULAR WEIGHT: 288.30008
SMILES: [C-]#[N+]/C(=C\C1=CC=C(C=C1)O)/C(=C/C2=CC=C(C=C2)O)/[N+]#[C-]
Structure:
CAS RN: 11042-38-9
CAS Name: 4-[(1Z,3Z)-4-(4-hydroxyphenyl)-2,3-diisocyanobuta-1,3-dienyl]phenol
OPENEYE Name: 4-[(1Z,3Z)-4-(4-hydroxyphenyl)-2,3-diisocyano-buta-1,3-dienyl]phenol
IUPAC Name: 4-[(1Z,3Z)-4-(4-hydroxyphenyl)-2,3-diisocyanobuta-1,3-dienyl]phenol
SYSTEMATIC NAME: 4-[(1Z,3Z)-4-(4-hydroxyphenyl)-2,3-diisocyano-buta-1,3-dienyl]phenol
MOLECULAR FORMULA: C18H12N2O2
MOLECULAR WEIGHT: 288.30008
SMILES: [C-]#[N+]/C(=C\C1=CC=C(C=C1)O)/C(=C/C2=CC=C(C=C2)O)/[N+]#[C-]
Structure:
CAS RN: 49599-09-9
CAS Name: 1-hydroxy-3,5,8-trimethoxy-9-xanthenone
OPENEYE Name: 1-hydroxy-3,5,8-trimethoxy-xanthen-9-one
IUPAC Name: 1-hydroxy-3,5,8-trimethoxyxanthen-9-one
SYSTEMATIC NAME: 3,5,8-trimethoxy-1-oxidanyl-xanthen-9-one
MOLECULAR FORMULA: C16H14O6
MOLECULAR WEIGHT: 302.27876
SMILES: COC1=C2C(=C(C=C1)OC)OC3=CC(=CC(=C3C2=O)O)OC
Structure:
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