ethyl (3S)-7-chloranyl-5-(2-fluorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepine-3-carboxylate

Systemtic Name: ethyl (3S)-7-chloranyl-5-(2-fluorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepine-3-carboxylate Openeye Name: ethyl (3S)-7-chloro-5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepine-3-carboxylate CAS Name: (3S)-7-chloro-5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3S)-7-chloro-5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepine-3-carboxylate Traditional Name: (3S)-7-chloro-5-(2-fluorophenyl)-2-keto-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid ethyl ester Formula: C18H14ClFN2O3 MolecularWeight: 360.766763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)[C@@H]1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F

InChI

InChI=1S/C18H14ClFN2O3/c1-2-25-18(24)16-17(23)21-14-8-7-10(19)9-12(14)15(22-16)11-5-3-4-6-13(11)20/h3-9,16H,2H2,1H3,(H,21,23)/t16-/m0/s1