(5E)-8-chloranyl-5-(2-oxidanylidene-2-phenylazanyl-ethylidene)-1,2,3,4-tetrahydro-1-benzazepine-2-carboxylic acid

Systemtic Name: (5E)-8-chloranyl-5-(2-oxidanylidene-2-phenylazanyl-ethylidene)-1,2,3,4-tetrahydro-1-benzazepine-2-carboxylic acid Openeye Name: (5E)-5-(2-anilino-2-oxo-ethylidene)-8-chloro-1,2,3,4-tetrahydro-1-benzazepine-2-carboxylic acid CAS Name: (5E)-5-(2-anilino-2-oxoethylidene)-8-chloro-1,2,3,4-tetrahydro-1-benzazepine-2-carboxylic acid IUPAC Name: (5E)-5-(2-anilino-2-oxoethylidene)-8-chloro-1,2,3,4-tetrahydro-1-benzazepine-2-carboxylic acid Traditional Name: (5E)-5-(2-anilino-2-keto-ethylidene)-8-chloro-1,2,3,4-tetrahydro-1-benzazepine-2-carboxylic acid Formula: C19H17ClN2O3 MolecularWeight: 356.80288

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=O)NC2=CC=CC=C2)C3=C(C=C(C=C3)Cl)NC1C(=O)O

Isomeric SMILES

C1C/C(=C\C(=O)NC2=CC=CC=C2)/C3=C(C=C(C=C3)Cl)NC1C(=O)O

InChI

InChI=1S/C19H17ClN2O3/c20-13-7-8-15-12(6-9-16(19(24)25)22-17(15)11-13)10-18(23)21-14-4-2-1-3-5-14/h1-5,7-8,10-11,16,22H,6,9H2,(H,21,23)(H,24,25)/b12-10+