CAS RN: 4609-10-3
CAS Name: 5-(4-methoxyphenyl)-5-oxopentanoic acid
OPENEYE Name: 5-(4-methoxyphenyl)-5-oxo-pentanoic acid
IUPAC Name: 5-(4-methoxyphenyl)-5-oxopentanoic acid
SYSTEMATIC NAME: 5-(4-methoxyphenyl)-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C12H14O4
MOLECULAR WEIGHT: 222.23716
SMILES: COC1=CC=C(C=C1)C(=O)CCCC(=O)O
Structure:
CAS RN: 13575-75-2
CAS Name: 6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
OPENEYE Name: 6,7-dimethoxytetralin-1-one
IUPAC Name: 6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
SYSTEMATIC NAME: 6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
MOLECULAR FORMULA: C12H14O3
MOLECULAR WEIGHT: 206.23776
SMILES: COC1=C(C=C2C(=C1)CCCC2=O)OC
Structure:
CAS RN: 6500-65-8
CAS Name: 2-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
OPENEYE Name: 2-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
IUPAC Name: 2-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
SYSTEMATIC NAME: 2-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
MOLECULAR FORMULA: C12H14O2
MOLECULAR WEIGHT: 190.23836
SMILES: COC1=CC2=C(C=C1)C(=O)CCCC2
Structure:
CAS RN: 13318-18-8
CAS Name: 1,4-dihydroxy-7,8-dihydro-6H-benzo[7]annulene-5,9-dione
OPENEYE Name: 1,4-dihydroxy-7,8-dihydro-6H-benzo[7]annulene-5,9-dione
IUPAC Name: 1,4-dihydroxy-7,8-dihydro-6H-benzo[7]annulene-5,9-dione
SYSTEMATIC NAME: 1,4-bis(oxidanyl)-7,8-dihydro-6H-benzo[7]annulene-5,9-dione
MOLECULAR FORMULA: C11H10O4
MOLECULAR WEIGHT: 206.1947
SMILES: C1CC(=O)C2=C(C=CC(=C2C(=O)C1)O)O
Structure:
CAS RN: 42908-33-8
CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid
OPENEYE Name: 3-(p-tolylsulfonylamino)propanoic acid
IUPAC Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid
SYSTEMATIC NAME: 3-[(4-methylphenyl)sulfonylamino]propanoic acid
MOLECULAR FORMULA: C10H13NO4S
MOLECULAR WEIGHT: 243.27952
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)O
Structure:
CAS RN: 4395-58-8
CAS Name: 2-(2-carboxyethylamino)benzoic acid
OPENEYE Name: 2-(2-carboxyethylamino)benzoic acid
IUPAC Name: 2-(2-carboxyethylamino)benzoic acid
SYSTEMATIC NAME: 2-(3-hydroxy-3-oxopropylamino)benzoic acid
MOLECULAR FORMULA: C10H11NO4
MOLECULAR WEIGHT: 209.19864
SMILES: C1=CC=C(C(=C1)C(=O)O)NCCC(=O)O
Structure:
CAS RN: 51652-35-8
CAS Name: 5-methoxy-2,4-dinitrophenol
OPENEYE Name: 5-methoxy-2,4-dinitro-phenol
IUPAC Name: 5-methoxy-2,4-dinitrophenol
SYSTEMATIC NAME: 5-methoxy-2,4-dinitro-phenol
MOLECULAR FORMULA: C7H6N2O6
MOLECULAR WEIGHT: 214.13234
SMILES: COC1=C(C=C(C(=C1)O)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 20010-99-5
CAS Name: 2-pyrazinylmethanamine
OPENEYE Name: pyrazin-2-ylmethanamine
IUPAC Name: pyrazin-2-ylmethanamine
SYSTEMATIC NAME: pyrazin-2-ylmethanamine
MOLECULAR FORMULA: C5H7N3
MOLECULAR WEIGHT: 109.12918
SMILES: C1=CN=C(C=N1)CN
Structure:
CAS RN: 26058-52-6
CAS Name: (3,6-dimethyl-2-pyrazinyl)-phenylmethanol
OPENEYE Name: (3,6-dimethylpyrazin-2-yl)-phenyl-methanol
IUPAC Name: (3,6-dimethylpyrazin-2-yl)-phenylmethanol
SYSTEMATIC NAME: (3,6-dimethylpyrazin-2-yl)-phenyl-methanol
MOLECULAR FORMULA: C13H14N2O
MOLECULAR WEIGHT: 214.26306
SMILES: CC1=CN=C(C(=N1)C(C2=CC=CC=C2)O)C
Structure:
CAS RN: 19691-97-5
CAS Name: 2-(1H-1,2,4-triazol-5-yl)benzo[de]isoquinoline-1,3-dione
OPENEYE Name: 2-(1H-1,2,4-triazol-5-yl)benzo[de]isoquinoline-1,3-dione
IUPAC Name: 2-(1H-1,2,4-triazol-5-yl)benzo[de]isoquinoline-1,3-dione
SYSTEMATIC NAME: 2-(1H-1,2,4-triazol-5-yl)benzo[de]isoquinoline-1,3-dione
MOLECULAR FORMULA: C14H8N4O2
MOLECULAR WEIGHT: 264.23892
SMILES: C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)C4=NC=NN4
Structure:
CAS RN: 1481-92-1
CAS Name: 2-(3-hydroxypropyl)phenol
OPENEYE Name: 2-(3-hydroxypropyl)phenol
IUPAC Name: 2-(3-hydroxypropyl)phenol
SYSTEMATIC NAME: 2-(3-oxidanylpropyl)phenol
MOLECULAR FORMULA: C9H12O2
MOLECULAR WEIGHT: 152.19038
SMILES: C1=CC=C(C(=C1)CCCO)O
Structure:
CAS RN: 20921-00-0
CAS Name: 6-bromo-3,4-dihydro-2H-1-benzopyran-2-one
OPENEYE Name: 6-bromochroman-2-one
IUPAC Name: 6-bromo-3,4-dihydrochromen-2-one
SYSTEMATIC NAME: 6-bromanyl-3,4-dihydrochromen-2-one
MOLECULAR FORMULA: C9H7BrO2
MOLECULAR WEIGHT: 227.05468
SMILES: C1CC(=O)OC2=C1C=C(C=C2)Br
Structure:
CAS RN: 210345-25-8
CAS Name: N-(3-methoxypropyl)-5-methyl-5-nitro-2-oxo-1,3,2$l^{5}-dioxaphosphorinan-2-amine
OPENEYE Name: N-(3-methoxypropyl)-5-methyl-5-nitro-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-amine
IUPAC Name: N-(3-methoxypropyl)-5-methyl-5-nitro-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-amine
SYSTEMATIC NAME: N-(3-methoxypropyl)-5-methyl-5-nitro-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-amine
MOLECULAR FORMULA: C8H17N2O6P
MOLECULAR WEIGHT: 268.204141
SMILES: CC1(COP(=O)(OC1)NCCCOC)[N+](=O)[O-]
Structure:
CAS RN: 507-78-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H23NO5
MOLECULAR WEIGHT: 405.44312
SMILES: CN1CCC23C4C(=O)C=CC2(C1CC5=C3C(=C(C=C5)OC)O)C6=C(C=CC(=C46)O)O
Structure:
CAS RN: 87783-57-1
CAS Name: 2-(4,4-dimethyl-2,5-dioxo-1-imidazolidinyl)-2-methylpropanoic acid
OPENEYE Name: 2-(4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl)-2-methyl-propanoic acid
IUPAC Name: 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-methylpropanoic acid
SYSTEMATIC NAME: 2-[4,4-dimethyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]-2-methyl-propanoic acid
MOLECULAR FORMULA: C9H14N2O4
MOLECULAR WEIGHT: 214.21846
SMILES: CC1(C(=O)N(C(=O)N1)C(C)(C)C(=O)O)C
Structure:
CAS RN: 17350-57-1
CAS Name: N-[1,2,2-tris(ethoxycarbonylamino)ethyl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-[1,2,2-tris(ethoxycarbonylamino)ethyl]carbamate
IUPAC Name: ethyl N-[1,2,2-tris(ethoxycarbonylamino)ethyl]carbamate
SYSTEMATIC NAME: ethyl N-[1,2,2-tris(ethoxycarbonylamino)ethyl]carbamate
MOLECULAR FORMULA: C14H26N4O8
MOLECULAR WEIGHT: 378.37824
SMILES: CCOC(=O)NC(C(NC(=O)OCC)NC(=O)OCC)NC(=O)OCC
Structure:
CAS RN: 79029-98-4
CAS Name: acetic acid [3,4,6-triacetyloxy-5-(2,4-dinitroanilino)-2-oxanyl]methyl ester
OPENEYE Name: [3,4,6-triacetoxy-5-(2,4-dinitroanilino)tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [3,4,6-triacetyloxy-5-(2,4-dinitroanilino)oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4,6-triacetyloxy-5-[(2,4-dinitrophenyl)amino]oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C20H23N3O13
MOLECULAR WEIGHT: 513.40892
SMILES: CC(=O)OCC1C(C(C(C(O1)OC(=O)C)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C)OC(=O)C
Structure:
CAS RN: 10060-23-8
CAS Name: acetic acid [3,4,6-triacetyloxy-5-(2,4-dinitroanilino)-2-oxanyl]methyl ester
OPENEYE Name: [3,4,6-triacetoxy-5-(2,4-dinitroanilino)tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [3,4,6-triacetyloxy-5-(2,4-dinitroanilino)oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4,6-triacetyloxy-5-[(2,4-dinitrophenyl)amino]oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C20H23N3O13
MOLECULAR WEIGHT: 513.40892
SMILES: CC(=O)OCC1C(C(C(C(O1)OC(=O)C)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C)OC(=O)C
Structure:
CAS RN: 4752-90-3
CAS Name: acetic acid [6-(4-acetamido-2-oxo-1-pyrimidinyl)-4,5-diacetyloxy-3-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-2-oxanyl]methyl ester
OPENEYE Name: [6-(4-acetamido-2-oxo-pyrimidin-1-yl)-4,5-diacetoxy-3-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [6-(4-acetamido-2-oxopyrimidin-1-yl)-4,5-diacetyloxy-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
SYSTEMATIC NAME: [6-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-4,5-diacetyloxy-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C32H41N3O19
MOLECULAR WEIGHT: 771.67664
SMILES: CC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(C(O2)COC(=O)C)OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 4752-93-6
CAS Name: acetic acid [6-(4-acetamido-2-oxo-1-pyrimidinyl)-4,5-diacetyloxy-3-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-2-oxanyl]methyl ester
OPENEYE Name: [6-(4-acetamido-2-oxo-pyrimidin-1-yl)-4,5-diacetoxy-3-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [6-(4-acetamido-2-oxopyrimidin-1-yl)-4,5-diacetyloxy-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
SYSTEMATIC NAME: [6-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-4,5-diacetyloxy-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C32H41N3O19
MOLECULAR WEIGHT: 771.67664
SMILES: CC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(C(O2)COC(=O)C)OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 29021-82-7
CAS Name: acetic acid [3,4,5-triacetyloxy-6-[(4,5,6-triacetyloxy-2-methyl-3-oxanyl)oxy]-2-oxanyl]methyl ester
OPENEYE Name: [3,4,5-triacetoxy-6-(4,5,6-triacetoxy-2-methyl-tetrahydropyran-3-yl)oxy-tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [3,4,5-triacetyloxy-6-(4,5,6-triacetyloxy-2-methyloxan-3-yl)oxyoxan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4,5-triacetyloxy-6-(4,5,6-triacetyloxy-2-methyl-oxan-3-yl)oxy-oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C26H36O17
MOLECULAR WEIGHT: 620.55384
SMILES: CC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 29021-37-2
CAS Name: acetic acid [3,4,5-triacetyloxy-6-[[4,5,6-triacetyloxy-2-(iodomethyl)-3-oxanyl]oxy]-2-oxanyl]methyl ester
OPENEYE Name: [3,4,5-triacetoxy-6-[4,5,6-triacetoxy-2-(iodomethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [3,4,5-triacetyloxy-6-[4,5,6-triacetyloxy-2-(iodomethyl)oxan-3-yl]oxyoxan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4,5-triacetyloxy-6-[4,5,6-triacetyloxy-2-(iodanylmethyl)oxan-3-yl]oxy-oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C26H35IO17
MOLECULAR WEIGHT: 746.45037
SMILES: CC(=O)OCC1C(C(C(C(O1)OC2C(OC(C(C2OC(=O)C)OC(=O)C)OC(=O)C)CI)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 68967-00-0
CAS Name: 2-(3,4-dimethylphenyl)-1-[1-[2-(3,4-dimethylphenyl)-1-oxoethyl]-3-indolyl]ethanone
OPENEYE Name: 2-(3,4-dimethylphenyl)-1-[1-[2-(3,4-dimethylphenyl)acetyl]indol-3-yl]ethanone
IUPAC Name: 2-(3,4-dimethylphenyl)-1-[1-[2-(3,4-dimethylphenyl)acetyl]indol-3-yl]ethanone
SYSTEMATIC NAME: 2-(3,4-dimethylphenyl)-1-[1-[2-(3,4-dimethylphenyl)ethanoyl]indol-3-yl]ethanone
MOLECULAR FORMULA: C28H27NO2
MOLECULAR WEIGHT: 409.51948
SMILES: CC1=C(C=C(C=C1)CC(=O)C2=CN(C3=CC=CC=C32)C(=O)CC4=CC(=C(C=C4)C)C)C
Structure:
CAS RN: 6944-23-6
CAS Name: 2-(3-methoxyphenyl)-1-[1-[2-(3-methoxyphenyl)-1-oxoethyl]-3-indolyl]ethanone
OPENEYE Name: 2-(3-methoxyphenyl)-1-[1-[2-(3-methoxyphenyl)acetyl]indol-3-yl]ethanone
IUPAC Name: 2-(3-methoxyphenyl)-1-[1-[2-(3-methoxyphenyl)acetyl]indol-3-yl]ethanone
SYSTEMATIC NAME: 2-(3-methoxyphenyl)-1-[1-[2-(3-methoxyphenyl)ethanoyl]indol-3-yl]ethanone
MOLECULAR FORMULA: C26H23NO4
MOLECULAR WEIGHT: 413.46512
SMILES: COC1=CC=CC(=C1)CC(=O)C2=CN(C3=CC=CC=C32)C(=O)CC4=CC(=CC=C4)OC
Structure:
CAS RN: 7000-47-7
CAS Name: 2-(2-chloro-4,5-dimethoxyphenyl)-1-(1H-indol-3-yl)ethanone
OPENEYE Name: 2-(2-chloro-4,5-dimethoxy-phenyl)-1-(1H-indol-3-yl)ethanone
IUPAC Name: 2-(2-chloro-4,5-dimethoxyphenyl)-1-(1H-indol-3-yl)ethanone
SYSTEMATIC NAME: 2-(2-chloranyl-4,5-dimethoxy-phenyl)-1-(1H-indol-3-yl)ethanone
MOLECULAR FORMULA: C18H16ClNO3
MOLECULAR WEIGHT: 329.77754
SMILES: COC1=C(C=C(C(=C1)CC(=O)C2=CNC3=CC=CC=C32)Cl)OC
Structure:
CAS RN: 95846-66-5
CAS Name: 1-(5-bromo-1H-indol-3-yl)-2-(4,5-dimethoxy-2-nitrophenyl)ethanone
OPENEYE Name: 1-(5-bromo-1H-indol-3-yl)-2-(4,5-dimethoxy-2-nitro-phenyl)ethanone
IUPAC Name: 1-(5-bromo-1H-indol-3-yl)-2-(4,5-dimethoxy-2-nitrophenyl)ethanone
SYSTEMATIC NAME: 1-(5-bromanyl-1H-indol-3-yl)-2-(4,5-dimethoxy-2-nitro-phenyl)ethanone
MOLECULAR FORMULA: C18H15BrN2O5
MOLECULAR WEIGHT: 419.2261
SMILES: COC1=C(C=C(C(=C1)CC(=O)C2=CNC3=C2C=C(C=C3)Br)[N+](=O)[O-])OC
Structure:
CAS RN: 68575-36-0
CAS Name: 1-(1H-indol-3-yl)-2-(3-methoxyphenyl)ethanone
OPENEYE Name: 1-(1H-indol-3-yl)-2-(3-methoxyphenyl)ethanone
IUPAC Name: 1-(1H-indol-3-yl)-2-(3-methoxyphenyl)ethanone
SYSTEMATIC NAME: 1-(1H-indol-3-yl)-2-(3-methoxyphenyl)ethanone
MOLECULAR FORMULA: C17H15NO2
MOLECULAR WEIGHT: 265.3065
SMILES: COC1=CC=CC(=C1)CC(=O)C2=CNC3=CC=CC=C32
Structure:
CAS RN: 96337-39-2
CAS Name: 1-(1H-indol-3-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanone
OPENEYE Name: 1-(1H-indol-3-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanone
IUPAC Name: 1-(1H-indol-3-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanone
SYSTEMATIC NAME: 1-(1H-indol-3-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanone
MOLECULAR FORMULA: C17H12N2O5
MOLECULAR WEIGHT: 324.28758
SMILES: C1OC2=C(O1)C=C(C(=C2)CC(=O)C3=CNC4=CC=CC=C43)[N+](=O)[O-]
Structure:
CAS RN: 94158-36-8
CAS Name: 1-(5-bromo-1H-indol-3-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanone
OPENEYE Name: 1-(5-bromo-1H-indol-3-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanone
IUPAC Name: 1-(5-bromo-1H-indol-3-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanone
SYSTEMATIC NAME: 1-(5-bromanyl-1H-indol-3-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethanone
MOLECULAR FORMULA: C17H11BrN2O5
MOLECULAR WEIGHT: 403.18364
SMILES: C1OC2=C(O1)C=C(C(=C2)CC(=O)C3=CNC4=C3C=C(C=C4)Br)[N+](=O)[O-]
Structure:
CAS RN: 326-59-0
CAS Name: 2-(1,3-benzodioxol-5-yl)acetic acid methyl ester
OPENEYE Name: methyl 2-(1,3-benzodioxol-5-yl)acetate
IUPAC Name: methyl 2-(1,3-benzodioxol-5-yl)acetate
SYSTEMATIC NAME: methyl 2-(1,3-benzodioxol-5-yl)ethanoate
MOLECULAR FORMULA: C10H10O4
MOLECULAR WEIGHT: 194.184
SMILES: COC(=O)CC1=CC2=C(C=C1)OCO2
Structure:
CAS RN: 5147-64-8
CAS Name: 2-(1,3-benzodioxol-5-yl)acetic acid methyl ester
OPENEYE Name: methyl 2-(1,3-benzodioxol-5-yl)acetate
IUPAC Name: methyl 2-(1,3-benzodioxol-5-yl)acetate
SYSTEMATIC NAME: methyl 2-(1,3-benzodioxol-5-yl)ethanoate
MOLECULAR FORMULA: C10H10O4
MOLECULAR WEIGHT: 194.184
SMILES: COC(=O)CC1=CC2=C(C=C1)OCO2
Structure:
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