CAS RN: 4389-50-8
CAS Name: 2-amino-6-methylbenzoate
OPENEYE Name: 2-amino-6-methyl-benzoate
IUPAC Name: 2-amino-6-methylbenzoate
SYSTEMATIC NAME: 2-azanyl-6-methyl-benzoate
MOLECULAR FORMULA: C8H8NO2-
MOLECULAR WEIGHT: 150.15462
SMILES: CC1=C(C(=CC=C1)N)C(=O)[O-]
Structure:
CAS RN: 61190-10-1
CAS Name: 2,2-diethoxyethyl-(phenylmethyl)ammonium
OPENEYE Name: benzyl(2,2-diethoxyethyl)ammonium
IUPAC Name: benzyl(2,2-diethoxyethyl)azanium
SYSTEMATIC NAME: 2,2-diethoxyethyl-(phenylmethyl)azanium
MOLECULAR FORMULA: C13H22NO2+
MOLECULAR WEIGHT: 224.31928
SMILES: CCOC(C[NH2+]CC1=CC=CC=C1)OCC
Structure:
CAS RN: 49711-55-9
CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-2-propenoate
OPENEYE Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate
IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate
SYSTEMATIC NAME: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate
MOLECULAR FORMULA: C11H6NO4-
MOLECULAR WEIGHT: 216.16964
SMILES: C1OC2=C(O1)C=C(C=C2)/C=C(\C#N)/C(=O)[O-]
Structure:
CAS RN: 144603-73-6
CAS Name: (3S)-6,7-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione
OPENEYE Name: (3S)-6,7-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione
IUPAC Name: (3S)-6,7-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione
SYSTEMATIC NAME: (3S)-6,7-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=CC(=C(C=C3NC2=O)Cl)Cl)F
Structure:
CAS RN: 144603-73-6
CAS Name: (3R)-6,7-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione
OPENEYE Name: (3R)-6,7-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione
IUPAC Name: (3R)-6,7-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione
SYSTEMATIC NAME: (3R)-6,7-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=CC(=C(C=C3NC2=O)Cl)Cl)F
Structure:
CAS RN: 81512-04-1
CAS Name: (2R)-2-(4-chloroanilino)-2-phenylpropanenitrile
OPENEYE Name: (2R)-2-(4-chloroanilino)-2-phenyl-propanenitrile
IUPAC Name: (2R)-2-(4-chloroanilino)-2-phenylpropanenitrile
SYSTEMATIC NAME: (2R)-2-[(4-chlorophenyl)amino]-2-phenyl-propanenitrile
MOLECULAR FORMULA: C15H13ClN2
MOLECULAR WEIGHT: 256.73012
SMILES: C[C@](C#N)(C1=CC=CC=C1)NC2=CC=C(C=C2)Cl
Structure:
CAS RN: 81512-04-1
CAS Name: (2S)-2-(4-chloroanilino)-2-phenylpropanenitrile
OPENEYE Name: (2S)-2-(4-chloroanilino)-2-phenyl-propanenitrile
IUPAC Name: (2S)-2-(4-chloroanilino)-2-phenylpropanenitrile
SYSTEMATIC NAME: (2S)-2-[(4-chlorophenyl)amino]-2-phenyl-propanenitrile
MOLECULAR FORMULA: C15H13ClN2
MOLECULAR WEIGHT: 256.73012
SMILES: C[C@@](C#N)(C1=CC=CC=C1)NC2=CC=C(C=C2)Cl
Structure:
CAS RN: 13110-96-8
CAS Name: 5-acetyl-2-hydroxybenzoate
OPENEYE Name: 5-acetyl-2-hydroxy-benzoate
IUPAC Name: 5-acetyl-2-hydroxybenzoate
SYSTEMATIC NAME: 5-ethanoyl-2-oxidanyl-benzoate
MOLECULAR FORMULA: C9H7O4-
MOLECULAR WEIGHT: 179.14948
SMILES: CC(=O)C1=CC(=C(C=C1)O)C(=O)[O-]
Structure:
CAS RN: 1996-44-7
CAS Name: 2,4-difluorobenzenethiolate
OPENEYE Name: 2,4-difluorobenzenethiolate
IUPAC Name: 2,4-difluorobenzenethiolate
SYSTEMATIC NAME: 2,4-bis(fluoranyl)benzenethiolate
MOLECULAR FORMULA: C6H3F2S-
MOLECULAR WEIGHT: 145.149826
SMILES: C1=CC(=C(C=C1F)F)[S-]
Structure:
CAS RN: 108648-25-5
CAS Name: (2S)-2-[(4-fluorophenoxy)methyl]oxirane
OPENEYE Name: (2S)-2-[(4-fluorophenoxy)methyl]oxirane
IUPAC Name: (2S)-2-[(4-fluorophenoxy)methyl]oxirane
SYSTEMATIC NAME: (2S)-2-[(4-fluoranylphenoxy)methyl]oxirane
MOLECULAR FORMULA: C9H9FO2
MOLECULAR WEIGHT: 168.164963
SMILES: C1[C@H](O1)COC2=CC=C(C=C2)F
Structure:
CAS RN: 108648-25-5
CAS Name: (2R)-2-[(4-fluorophenoxy)methyl]oxirane
OPENEYE Name: (2R)-2-[(4-fluorophenoxy)methyl]oxirane
IUPAC Name: (2R)-2-[(4-fluorophenoxy)methyl]oxirane
SYSTEMATIC NAME: (2R)-2-[(4-fluoranylphenoxy)methyl]oxirane
MOLECULAR FORMULA: C9H9FO2
MOLECULAR WEIGHT: 168.164963
SMILES: C1[C@@H](O1)COC2=CC=C(C=C2)F
Structure:
CAS RN: 17609-47-1
CAS Name: [(2S)-1-ethoxy-3-methyl-1-oxobutan-2-yl]ammonium
OPENEYE Name: [(1S)-1-ethoxycarbonyl-2-methyl-propyl]ammonium
IUPAC Name: [(2S)-1-ethoxy-3-methyl-1-oxobutan-2-yl]azanium
SYSTEMATIC NAME: [(2S)-1-ethoxy-3-methyl-1-oxidanylidene-butan-2-yl]azanium
MOLECULAR FORMULA: C7H16NO2+
MOLECULAR WEIGHT: 146.20744
SMILES: CCOC(=O)[C@H](C(C)C)[NH3+]
Structure:
CAS RN: 868-59-7
CAS Name: [(2R)-1-ethoxy-3-mercapto-1-oxopropan-2-yl]ammonium
OPENEYE Name: [(1R)-2-ethoxy-2-oxo-1-(sulfanylmethyl)ethyl]ammonium
IUPAC Name: [(2R)-1-ethoxy-1-oxo-3-sulfanylpropan-2-yl]azanium
SYSTEMATIC NAME: [(2R)-1-ethoxy-1-oxidanylidene-3-sulfanyl-propan-2-yl]azanium
MOLECULAR FORMULA: C5H12NO2S+
MOLECULAR WEIGHT: 150.21928
SMILES: CCOC(=O)[C@H](CS)[NH3+]
Structure:
CAS RN: 26348-61-8
CAS Name: [(2S)-1-ethoxy-3-hydroxy-1-oxopropan-2-yl]ammonium
OPENEYE Name: [(1S)-2-ethoxy-1-(hydroxymethyl)-2-oxo-ethyl]ammonium
IUPAC Name: [(2S)-1-ethoxy-3-hydroxy-1-oxopropan-2-yl]azanium
SYSTEMATIC NAME: [(2S)-1-ethoxy-3-oxidanyl-1-oxidanylidene-propan-2-yl]azanium
MOLECULAR FORMULA: C5H12NO3+
MOLECULAR WEIGHT: 134.15368
SMILES: CCOC(=O)[C@H](CO)[NH3+]
Structure:
CAS RN: 112245-09-7
CAS Name: (2R)-2-amino-3,3-dimethyl-1-butanol
OPENEYE Name: (2R)-2-amino-3,3-dimethyl-butan-1-ol
IUPAC Name: (2R)-2-amino-3,3-dimethylbutan-1-ol
SYSTEMATIC NAME: (2R)-2-azanyl-3,3-dimethyl-butan-1-ol
MOLECULAR FORMULA: C6H15NO
MOLECULAR WEIGHT: 117.1894
SMILES: CC(C)(C)[C@H](CO)N
Structure:
CAS RN: 167262-68-2
CAS Name: 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-phenyl-4-piperidinecarboxylate
OPENEYE Name: 1-tert-butoxycarbonyl-4-phenyl-piperidine-4-carboxylate
IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carboxylate
SYSTEMATIC NAME: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-piperidine-4-carboxylate
MOLECULAR FORMULA: C17H22NO4-
MOLECULAR WEIGHT: 304.36088
SMILES: CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)[O-]
Structure:
CAS RN: 144603-41-8
CAS Name: (3S)-3-chloro-8-fluoro-3-phenyl-1H-quinoline-2,4-dione
OPENEYE Name: (3S)-3-chloro-8-fluoro-3-phenyl-1H-quinoline-2,4-dione
IUPAC Name: (3S)-3-chloro-8-fluoro-3-phenyl-1H-quinoline-2,4-dione
SYSTEMATIC NAME: (3S)-3-chloranyl-8-fluoranyl-3-phenyl-1H-quinoline-2,4-dione
MOLECULAR FORMULA: C15H9ClFNO2
MOLECULAR WEIGHT: 289.688863
SMILES: C1=CC=C(C=C1)[C@@]2(C(=O)C3=C(C(=CC=C3)F)NC2=O)Cl
Structure:
CAS RN: 144603-41-8
CAS Name: (3R)-3-chloro-8-fluoro-3-phenyl-1H-quinoline-2,4-dione
OPENEYE Name: (3R)-3-chloro-8-fluoro-3-phenyl-1H-quinoline-2,4-dione
IUPAC Name: (3R)-3-chloro-8-fluoro-3-phenyl-1H-quinoline-2,4-dione
SYSTEMATIC NAME: (3R)-3-chloranyl-8-fluoranyl-3-phenyl-1H-quinoline-2,4-dione
MOLECULAR FORMULA: C15H9ClFNO2
MOLECULAR WEIGHT: 289.688863
SMILES: C1=CC=C(C=C1)[C@]2(C(=O)C3=C(C(=CC=C3)F)NC2=O)Cl
Structure:
CAS RN: 144619-46-5
CAS Name: (3S)-3-chloro-6-fluoro-3-phenyl-1H-quinoline-2,4-dione
OPENEYE Name: (3S)-3-chloro-6-fluoro-3-phenyl-1H-quinoline-2,4-dione
IUPAC Name: (3S)-3-chloro-6-fluoro-3-phenyl-1H-quinoline-2,4-dione
SYSTEMATIC NAME: (3S)-3-chloranyl-6-fluoranyl-3-phenyl-1H-quinoline-2,4-dione
MOLECULAR FORMULA: C15H9ClFNO2
MOLECULAR WEIGHT: 289.688863
SMILES: C1=CC=C(C=C1)[C@@]2(C(=O)C3=C(C=CC(=C3)F)NC2=O)Cl
Structure:
CAS RN: 144619-46-5
CAS Name: (3R)-3-chloro-6-fluoro-3-phenyl-1H-quinoline-2,4-dione
OPENEYE Name: (3R)-3-chloro-6-fluoro-3-phenyl-1H-quinoline-2,4-dione
IUPAC Name: (3R)-3-chloro-6-fluoro-3-phenyl-1H-quinoline-2,4-dione
SYSTEMATIC NAME: (3R)-3-chloranyl-6-fluoranyl-3-phenyl-1H-quinoline-2,4-dione
MOLECULAR FORMULA: C15H9ClFNO2
MOLECULAR WEIGHT: 289.688863
SMILES: C1=CC=C(C=C1)[C@]2(C(=O)C3=C(C=CC(=C3)F)NC2=O)Cl
Structure:
CAS RN: 144603-40-7
CAS Name: (3S)-3-chloro-7-fluoro-3-phenyl-1H-quinoline-2,4-dione
OPENEYE Name: (3S)-3-chloro-7-fluoro-3-phenyl-1H-quinoline-2,4-dione
IUPAC Name: (3S)-3-chloro-7-fluoro-3-phenyl-1H-quinoline-2,4-dione
SYSTEMATIC NAME: (3S)-3-chloranyl-7-fluoranyl-3-phenyl-1H-quinoline-2,4-dione
MOLECULAR FORMULA: C15H9ClFNO2
MOLECULAR WEIGHT: 289.688863
SMILES: C1=CC=C(C=C1)[C@@]2(C(=O)C3=C(C=C(C=C3)F)NC2=O)Cl
Structure:
CAS RN: 144603-40-7
CAS Name: (3R)-3-chloro-7-fluoro-3-phenyl-1H-quinoline-2,4-dione
OPENEYE Name: (3R)-3-chloro-7-fluoro-3-phenyl-1H-quinoline-2,4-dione
IUPAC Name: (3R)-3-chloro-7-fluoro-3-phenyl-1H-quinoline-2,4-dione
SYSTEMATIC NAME: (3R)-3-chloranyl-7-fluoranyl-3-phenyl-1H-quinoline-2,4-dione
MOLECULAR FORMULA: C15H9ClFNO2
MOLECULAR WEIGHT: 289.688863
SMILES: C1=CC=C(C=C1)[C@]2(C(=O)C3=C(C=C(C=C3)F)NC2=O)Cl
Structure:
CAS RN: 144603-44-1
CAS Name: (3S)-3,8-dichloro-3-phenyl-1H-quinoline-2,4-dione
OPENEYE Name: (3S)-3,8-dichloro-3-phenyl-1H-quinoline-2,4-dione
IUPAC Name: (3S)-3,8-dichloro-3-phenyl-1H-quinoline-2,4-dione
SYSTEMATIC NAME: (3S)-3,8-bis(chloranyl)-3-phenyl-1H-quinoline-2,4-dione
MOLECULAR FORMULA: C15H9Cl2NO2
MOLECULAR WEIGHT: 306.14346
SMILES: C1=CC=C(C=C1)[C@@]2(C(=O)C3=C(C(=CC=C3)Cl)NC2=O)Cl
Structure:
CAS RN: 144603-44-1
CAS Name: (3R)-3,8-dichloro-3-phenyl-1H-quinoline-2,4-dione
OPENEYE Name: (3R)-3,8-dichloro-3-phenyl-1H-quinoline-2,4-dione
IUPAC Name: (3R)-3,8-dichloro-3-phenyl-1H-quinoline-2,4-dione
SYSTEMATIC NAME: (3R)-3,8-bis(chloranyl)-3-phenyl-1H-quinoline-2,4-dione
MOLECULAR FORMULA: C15H9Cl2NO2
MOLECULAR WEIGHT: 306.14346
SMILES: C1=CC=C(C=C1)[C@]2(C(=O)C3=C(C(=CC=C3)Cl)NC2=O)Cl
Structure:
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