CAS RN: 405294-68-0
CAS Name: 5-(1-oxopropoxymethyl)-2-furancarboxylic acid
OPENEYE Name: 5-(propanoyloxymethyl)furan-2-carboxylic acid
IUPAC Name: 5-(propanoyloxymethyl)furan-2-carboxylic acid
SYSTEMATIC NAME: 5-(propanoyloxymethyl)furan-2-carboxylic acid
MOLECULAR FORMULA: C9H10O5
MOLECULAR WEIGHT: 198.1727
SMILES: CCC(=O)OCC1=CC=C(O1)C(=O)O
Structure:
CAS RN: 49660-12-0
CAS Name: 5-(1H-benzimidazol-2-yl)-2-pentanone
OPENEYE Name: 5-(1H-benzimidazol-2-yl)pentan-2-one
IUPAC Name: 5-(1H-benzimidazol-2-yl)pentan-2-one
SYSTEMATIC NAME: 5-(1H-benzimidazol-2-yl)pentan-2-one
MOLECULAR FORMULA: C12H14N2O
MOLECULAR WEIGHT: 202.25236
SMILES: CC(=O)CCCC1=NC2=CC=CC=C2N1
Structure:
CAS RN: 16733-85-0
CAS Name: 2-thiazolecarboxamide
OPENEYE Name: thiazole-2-carboxamide
IUPAC Name: 1,3-thiazole-2-carboxamide
SYSTEMATIC NAME: 1,3-thiazole-2-carboxamide
MOLECULAR FORMULA: C4H4N2OS
MOLECULAR WEIGHT: 128.15236
SMILES: C1=CSC(=N1)C(=O)N
Structure:
CAS RN: 16953-21-2
CAS Name: 4-hydroxy-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one
OPENEYE Name: 4-hydroxy-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one
IUPAC Name: 4-hydroxy-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one
SYSTEMATIC NAME: 2-[(4-methoxyphenyl)methyl]-4-oxidanyl-1H-pyrimidin-6-one
MOLECULAR FORMULA: C12H12N2O3
MOLECULAR WEIGHT: 232.23528
SMILES: COC1=CC=C(C=C1)CC2=NC(=CC(=O)N2)O
Structure:
CAS RN: 13750-63-5
CAS Name: (4-methyl-2-thiazolyl)methanol
OPENEYE Name: (4-methylthiazol-2-yl)methanol
IUPAC Name: (4-methyl-1,3-thiazol-2-yl)methanol
SYSTEMATIC NAME: (4-methyl-1,3-thiazol-2-yl)methanol
MOLECULAR FORMULA: C5H7NOS
MOLECULAR WEIGHT: 129.18018
SMILES: CC1=CSC(=N1)CO
Structure:
CAS RN: 10422-14-7
CAS Name: 3-(2-furanyl)pyrrolidine-2,5-dione
OPENEYE Name: 3-(2-furyl)pyrrolidine-2,5-dione
IUPAC Name: 3-(furan-2-yl)pyrrolidine-2,5-dione
SYSTEMATIC NAME: 3-(furan-2-yl)pyrrolidine-2,5-dione
MOLECULAR FORMULA: C8H7NO3
MOLECULAR WEIGHT: 165.14608
SMILES: C1C(C(=O)NC1=O)C2=CC=CO2
Structure:
CAS RN: 3988-93-0
CAS Name: 5-methyl-4-(phenylmethyl)-2-furancarboxylic acid
OPENEYE Name: 4-benzyl-5-methyl-furan-2-carboxylic acid
IUPAC Name: 4-benzyl-5-methylfuran-2-carboxylic acid
SYSTEMATIC NAME: 5-methyl-4-(phenylmethyl)furan-2-carboxylic acid
MOLECULAR FORMULA: C13H12O3
MOLECULAR WEIGHT: 216.23258
SMILES: CC1=C(C=C(O1)C(=O)O)CC2=CC=CC=C2
Structure:
CAS RN: 100396-88-1
CAS Name: 1-[5-(phenylmethyl)-2-furanyl]ethanone
OPENEYE Name: 1-(5-benzyl-2-furyl)ethanone
IUPAC Name: 1-(5-benzylfuran-2-yl)ethanone
SYSTEMATIC NAME: 1-[5-(phenylmethyl)furan-2-yl]ethanone
MOLECULAR FORMULA: C13H12O2
MOLECULAR WEIGHT: 200.23318
SMILES: CC(=O)C1=CC=C(O1)CC2=CC=CC=C2
Structure:
CAS RN: 80733-54-6
CAS Name: 5-[(4-methylphenyl)methyl]-2-furancarboxaldehyde
OPENEYE Name: 5-(p-tolylmethyl)furan-2-carbaldehyde
IUPAC Name: 5-[(4-methylphenyl)methyl]furan-2-carbaldehyde
SYSTEMATIC NAME: 5-[(4-methylphenyl)methyl]furan-2-carbaldehyde
MOLECULAR FORMULA: C13H12O2
MOLECULAR WEIGHT: 200.23318
SMILES: CC1=CC=C(C=C1)CC2=CC=C(O2)C=O
Structure:
CAS RN: 1486-08-4
CAS Name: 3-ethenyl-9-methylcarbazole
OPENEYE Name: 9-methyl-3-vinyl-carbazole
IUPAC Name: 3-ethenyl-9-methylcarbazole
SYSTEMATIC NAME: 3-ethenyl-9-methyl-carbazole
MOLECULAR FORMULA: C15H13N
MOLECULAR WEIGHT: 207.27042
SMILES: CN1C2=C(C=C(C=C2)C=C)C3=CC=CC=C31
Structure:
CAS RN: 6516-95-6
CAS Name: 1-methyl-6-pyridin-4-yl-3,4-dihydro-2H-quinoline
OPENEYE Name: 1-methyl-6-(4-pyridyl)-3,4-dihydro-2H-quinoline
IUPAC Name: 1-methyl-6-pyridin-4-yl-3,4-dihydro-2H-quinoline
SYSTEMATIC NAME: 1-methyl-6-pyridin-4-yl-3,4-dihydro-2H-quinoline
MOLECULAR FORMULA: C15H16N2
MOLECULAR WEIGHT: 224.30094
SMILES: CN1CCCC2=C1C=CC(=C2)C3=CC=NC=C3
Structure:
CAS RN: 1453-83-4
CAS Name: 1-methyl-5-pyridin-4-yl-2,3-dihydroindole
OPENEYE Name: 1-methyl-5-(4-pyridyl)indoline
IUPAC Name: 1-methyl-5-pyridin-4-yl-2,3-dihydroindole
SYSTEMATIC NAME: 1-methyl-5-pyridin-4-yl-2,3-dihydroindole
MOLECULAR FORMULA: C14H14N2
MOLECULAR WEIGHT: 210.27436
SMILES: CN1CCC2=C1C=CC(=C2)C3=CC=NC=C3
Structure:
CAS RN: 717-75-9
CAS Name: 3-acetyl-5-nitrobenzoic acid
OPENEYE Name: 3-acetyl-5-nitro-benzoic acid
IUPAC Name: 3-acetyl-5-nitrobenzoic acid
SYSTEMATIC NAME: 3-ethanoyl-5-nitro-benzoic acid
MOLECULAR FORMULA: C9H7NO5
MOLECULAR WEIGHT: 209.15558
SMILES: CC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O
Structure:
CAS RN: 10186-34-2
CAS Name: 3-acetyl-5-nitrobenzonitrile
OPENEYE Name: 3-acetyl-5-nitro-benzonitrile
IUPAC Name: 3-acetyl-5-nitrobenzonitrile
SYSTEMATIC NAME: 3-ethanoyl-5-nitro-benzenecarbonitrile
MOLECULAR FORMULA: C9H6N2O3
MOLECULAR WEIGHT: 190.15554
SMILES: CC(=O)C1=CC(=CC(=C1)C#N)[N+](=O)[O-]
Structure:
CAS RN: 1997-50-8
CAS Name: 5-fluoro-8-quinolinesulfonyl chloride
OPENEYE Name: 5-fluoroquinoline-8-sulfonyl chloride
IUPAC Name: 5-fluoroquinoline-8-sulfonyl chloride
SYSTEMATIC NAME: 5-fluoranylquinoline-8-sulfonyl chloride
MOLECULAR FORMULA: C9H5ClFNO2S
MOLECULAR WEIGHT: 245.657903
SMILES: C1=CC2=C(C=CC(=C2N=C1)S(=O)(=O)Cl)F
Structure:
CAS RN: 10092-63-4
CAS Name: 5-fluoro-8-quinolinesulfonic acid
OPENEYE Name: 5-fluoroquinoline-8-sulfonic acid
IUPAC Name: 5-fluoroquinoline-8-sulfonic acid
SYSTEMATIC NAME: 5-fluoranylquinoline-8-sulfonic acid
MOLECULAR FORMULA: C9H6FNO3S
MOLECULAR WEIGHT: 227.212243
SMILES: C1=CC2=C(C=CC(=C2N=C1)S(=O)(=O)O)F
Structure:
CAS RN: 71803-12-8
CAS Name: 4-ethoxy-10H-acridin-9-one
OPENEYE Name: 4-ethoxy-10H-acridin-9-one
IUPAC Name: 4-ethoxy-10H-acridin-9-one
SYSTEMATIC NAME: 4-ethoxy-10H-acridin-9-one
MOLECULAR FORMULA: C15H13NO2
MOLECULAR WEIGHT: 239.26922
SMILES: CCOC1=CC=CC2=C1NC3=CC=CC=C3C2=O
Structure:
CAS RN: 41175-40-0
CAS Name: 4-amino-3-phenyl-1-butanol
OPENEYE Name: 4-amino-3-phenyl-butan-1-ol
IUPAC Name: 4-amino-3-phenylbutan-1-ol
SYSTEMATIC NAME: 4-azanyl-3-phenyl-butan-1-ol
MOLECULAR FORMULA: C10H15NO
MOLECULAR WEIGHT: 165.2322
SMILES: C1=CC=C(C=C1)C(CCO)CN
Structure:
CAS RN: 92161-00-7
CAS Name: (9,10-dioxo-1-anthracenyl)phosphonic acid
OPENEYE Name: (9,10-dioxo-1-anthryl)phosphonic acid
IUPAC Name: (9,10-dioxoanthracen-1-yl)phosphonic acid
SYSTEMATIC NAME: [9,10-bis(oxidanylidene)anthracen-1-yl]phosphonic acid
MOLECULAR FORMULA: C14H9O5P
MOLECULAR WEIGHT: 288.192021
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)P(=O)(O)O
Structure:
CAS RN: 58478-11-8
CAS Name: 2-(2,2-dihydroxy-1-oxoethyl)-9-fluorenone
OPENEYE Name: 2-(2,2-dihydroxyacetyl)fluoren-9-one
IUPAC Name: 2-(2,2-dihydroxyacetyl)fluoren-9-one
SYSTEMATIC NAME: 2-[2,2-bis(oxidanyl)ethanoyl]fluoren-9-one
MOLECULAR FORMULA: C15H10O4
MOLECULAR WEIGHT: 254.2375
SMILES: C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)C(=O)C(O)O
Structure:
CAS RN: 42834-68-4
CAS Name: 2-(2,2-dibromo-1-oxoethyl)-9-fluorenone
OPENEYE Name: 2-(2,2-dibromoacetyl)fluoren-9-one
IUPAC Name: 2-(2,2-dibromoacetyl)fluoren-9-one
SYSTEMATIC NAME: 2-[2,2-bis(bromanyl)ethanoyl]fluoren-9-one
MOLECULAR FORMULA: C15H8Br2O2
MOLECULAR WEIGHT: 380.03082
SMILES: C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)C(=O)C(Br)Br
Structure:
CAS RN: 64343-07-3
CAS Name: 1-bromo-2-butoxybutane
OPENEYE Name: 1-bromo-2-butoxy-butane
IUPAC Name: 1-bromo-2-butoxybutane
SYSTEMATIC NAME: 1-bromanyl-2-butoxy-butane
MOLECULAR FORMULA: C8H17BrO
MOLECULAR WEIGHT: 209.12398
SMILES: CCCCOC(CC)CBr
Structure:
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