CAS RN: 37852-39-4
CAS Name: 2-(4,5-dimethoxy-2-nitrophenyl)ethylammonium
OPENEYE Name: 2-(4,5-dimethoxy-2-nitro-phenyl)ethylammonium
IUPAC Name: 2-(4,5-dimethoxy-2-nitrophenyl)ethylazanium
SYSTEMATIC NAME: 2-(4,5-dimethoxy-2-nitro-phenyl)ethylazanium
MOLECULAR FORMULA: C10H15N2O4+
MOLECULAR WEIGHT: 227.2371
SMILES: COC1=C(C=C(C(=C1)CC[NH3+])[N+](=O)[O-])OC
Structure:
CAS RN: 6484-28-2
CAS Name: 2-methyl-4-quinazolinethiolate
OPENEYE Name: 2-methylquinazoline-4-thiolate
IUPAC Name: 2-methylquinazoline-4-thiolate
SYSTEMATIC NAME: 2-methylquinazoline-4-thiolate
MOLECULAR FORMULA: C9H7N2S-
MOLECULAR WEIGHT: 175.23028
SMILES: CC1=NC2=CC=CC=C2C(=N1)[S-]
Structure:
CAS RN: 6306-25-8
CAS Name: 4-(carbamoylamino)benzoate
OPENEYE Name: 4-ureidobenzoate
IUPAC Name: 4-(carbamoylamino)benzoate
SYSTEMATIC NAME: 4-(aminocarbonylamino)benzoate
MOLECULAR FORMULA: C8H7N2O3-
MOLECULAR WEIGHT: 179.15278
SMILES: C1=CC(=CC=C1C(=O)[O-])NC(=O)N
Structure:
CAS RN: 385383-59-5
CAS Name: 2-[[(1-methyl-3-pyrazolyl)-oxomethyl]amino]benzoate
OPENEYE Name: 2-[(1-methylpyrazole-3-carbonyl)amino]benzoate
IUPAC Name: 2-[(1-methylpyrazole-3-carbonyl)amino]benzoate
SYSTEMATIC NAME: 2-[(1-methylpyrazol-3-yl)carbonylamino]benzoate
MOLECULAR FORMULA: C12H10N3O3-
MOLECULAR WEIGHT: 244.2261
SMILES: CN1C=CC(=N1)C(=O)NC2=CC=CC=C2C(=O)[O-]
Structure:
CAS RN: 19805-75-5
CAS Name: 2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-carboxamide
OPENEYE Name: 2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-carboxamide
IUPAC Name: 2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-carboxamide
SYSTEMATIC NAME: 2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-carboxamide
MOLECULAR FORMULA: C9H17N2O+
MOLECULAR WEIGHT: 169.24408
SMILES: CC1(C=C(C([NH2+]1)(C)C)C(=O)N)C
Structure:
CAS RN: 15513-16-3
CAS Name: N-cyclohexyl-2-pyridin-1-iumamine
OPENEYE Name: N-cyclohexylpyridin-1-ium-2-amine
IUPAC Name: N-cyclohexylpyridin-1-ium-2-amine
SYSTEMATIC NAME: N-cyclohexylpyridin-1-ium-2-amine
MOLECULAR FORMULA: C11H17N2+
MOLECULAR WEIGHT: 177.26608
SMILES: C1CCC(CC1)NC2=CC=CC=[NH+]2
Structure:
CAS RN: 76497-39-7
CAS Name: (2S)-3-(acetylthio)-2-methylpropanoate
OPENEYE Name: (2S)-3-acetylsulfanyl-2-methyl-propanoate
IUPAC Name: (2S)-3-acetylsulfanyl-2-methylpropanoate
SYSTEMATIC NAME: (2S)-3-ethanoylsulfanyl-2-methyl-propanoate
MOLECULAR FORMULA: C6H9O3S-
MOLECULAR WEIGHT: 161.19886
SMILES: C[C@H](CSC(=O)C)C(=O)[O-]
Structure:
CAS RN: 74431-52-0
CAS Name: (2R)-3-(acetylthio)-2-methylpropanoic acid
OPENEYE Name: (2R)-3-acetylsulfanyl-2-methyl-propanoic acid
IUPAC Name: (2R)-3-acetylsulfanyl-2-methylpropanoic acid
SYSTEMATIC NAME: (2R)-3-ethanoylsulfanyl-2-methyl-propanoic acid
MOLECULAR FORMULA: C6H10O3S
MOLECULAR WEIGHT: 162.2068
SMILES: C[C@@H](CSC(=O)C)C(=O)O
Structure:
CAS RN: 1188-21-2
CAS Name: (2S)-2-acetamido-4-methylpentanoate
OPENEYE Name: (2S)-2-acetamido-4-methyl-pentanoate
IUPAC Name: (2S)-2-acetamido-4-methylpentanoate
SYSTEMATIC NAME: (2S)-2-acetamido-4-methyl-pentanoate
MOLECULAR FORMULA: C8H14NO3-
MOLECULAR WEIGHT: 172.20166
SMILES: CC(C)C[C@@H](C(=O)[O-])NC(=O)C
Structure:
CAS RN: 1573-92-8
CAS Name: 9-oxo-1-fluorenecarboxylate
OPENEYE Name: 9-oxofluorene-1-carboxylate
IUPAC Name: 9-oxofluorene-1-carboxylate
SYSTEMATIC NAME: 9-oxidanylidenefluorene-1-carboxylate
MOLECULAR FORMULA: C14H7O3-
MOLECULAR WEIGHT: 223.20358
SMILES: C1=CC=C2C(=C1)C3=C(C2=O)C(=CC=C3)C(=O)[O-]
Structure:
CAS RN: 144603-74-7
CAS Name: (3S)-7,8-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione
OPENEYE Name: (3S)-7,8-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione
IUPAC Name: (3S)-7,8-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione
SYSTEMATIC NAME: (3S)-7,8-bis(chloranyl)-3-fluoranyl-3-phenyl-1H-quinoline-2,4-dione
MOLECULAR FORMULA: C15H8Cl2FNO2
MOLECULAR WEIGHT: 324.133923
SMILES: C1=CC=C(C=C1)[C@@]2(C(=O)C3=C(C(=C(C=C3)Cl)Cl)NC2=O)F
Structure:
CAS RN: 144603-74-7
CAS Name: (3R)-7,8-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione
OPENEYE Name: (3R)-7,8-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione
IUPAC Name: (3R)-7,8-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione
SYSTEMATIC NAME: (3R)-7,8-bis(chloranyl)-3-fluoranyl-3-phenyl-1H-quinoline-2,4-dione
MOLECULAR FORMULA: C15H8Cl2FNO2
MOLECULAR WEIGHT: 324.133923
SMILES: C1=CC=C(C=C1)[C@]2(C(=O)C3=C(C(=C(C=C3)Cl)Cl)NC2=O)F
Structure:
CAS RN: 144603-88-3
CAS Name: (3R)-6-chloro-3-fluoro-7-methoxy-3-phenyl-1H-quinoline-2,4-dione
OPENEYE Name: (3R)-6-chloro-3-fluoro-7-methoxy-3-phenyl-1H-quinoline-2,4-dione
IUPAC Name: (3R)-6-chloro-3-fluoro-7-methoxy-3-phenyl-1H-quinoline-2,4-dione
SYSTEMATIC NAME: (3R)-6-chloranyl-3-fluoranyl-7-methoxy-3-phenyl-1H-quinoline-2,4-dione
MOLECULAR FORMULA: C16H11ClFNO3
MOLECULAR WEIGHT: 319.714843
SMILES: COC1=C(C=C2C(=C1)NC(=O)[C@](C2=O)(C3=CC=CC=C3)F)Cl
Structure:
CAS RN: 144603-88-3
CAS Name: (3S)-6-chloro-3-fluoro-7-methoxy-3-phenyl-1H-quinoline-2,4-dione
OPENEYE Name: (3S)-6-chloro-3-fluoro-7-methoxy-3-phenyl-1H-quinoline-2,4-dione
IUPAC Name: (3S)-6-chloro-3-fluoro-7-methoxy-3-phenyl-1H-quinoline-2,4-dione
SYSTEMATIC NAME: (3S)-6-chloranyl-3-fluoranyl-7-methoxy-3-phenyl-1H-quinoline-2,4-dione
MOLECULAR FORMULA: C16H11ClFNO3
MOLECULAR WEIGHT: 319.714843
SMILES: COC1=C(C=C2C(=C1)NC(=O)[C@@](C2=O)(C3=CC=CC=C3)F)Cl
Structure:
CAS RN: 5331-42-0
CAS Name: (2R)-2-cyano-3-phenylpropanoate
OPENEYE Name: (2R)-2-cyano-3-phenyl-propanoate
IUPAC Name: (2R)-2-cyano-3-phenylpropanoate
SYSTEMATIC NAME: (2R)-2-cyano-3-phenyl-propanoate
MOLECULAR FORMULA: C10H8NO2-
MOLECULAR WEIGHT: 174.17602
SMILES: C1=CC=C(C=C1)C[C@H](C#N)C(=O)[O-]
Structure:
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