ethyl (9aS)-7-bromanyl-5-(2-chlorophenyl)-2-oxidanylidene-3,9a-dihydro-1H-1,4-benzodiazepine-4-carboxylate

Systemtic Name: ethyl (9aS)-7-bromanyl-5-(2-chlorophenyl)-2-oxidanylidene-3,9a-dihydro-1H-1,4-benzodiazepine-4-carboxylate Openeye Name: ethyl (9aS)-7-bromo-5-(2-chlorophenyl)-2-oxo-3,9a-dihydro-1H-1,4-benzodiazepine-4-carboxylate CAS Name: (9aS)-7-bromo-5-(2-chlorophenyl)-2-oxo-3,9a-dihydro-1H-1,4-benzodiazepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl (9aS)-7-bromo-5-(2-chlorophenyl)-2-oxo-3,9a-dihydro-1H-1,4-benzodiazepine-4-carboxylate Traditional Name: (9aS)-7-bromo-5-(2-chlorophenyl)-2-keto-3,9a-dihydro-1H-1,4-benzodiazepine-4-carboxylic acid ethyl ester Formula: C18H16BrClN2O3 MolecularWeight: 423.68824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC(=O)NC2C=CC(=CC2=C1C3=CC=CC=C3Cl)Br

Isomeric SMILES

CCOC(=O)N1CC(=O)N[C@H]2C=CC(=CC2=C1C3=CC=CC=C3Cl)Br

InChI

InChI=1S/C18H16BrClN2O3/c1-2-25-18(24)22-10-16(23)21-15-8-7-11(19)9-13(15)17(22)12-5-3-4-6-14(12)20/h3-9,15H,2,10H2,1H3,(H,21,23)/t15-/m0/s1