2-(7-chloranyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)cyclopropane-1-carboxylic acid

Systemtic Name: 2-(7-chloranyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)cyclopropane-1-carboxylic acid Openeye Name: 2-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)cyclopropanecarboxylic acid CAS Name: 2-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-1-cyclopropanecarboxylic acid IUPAC Name: 2-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)cyclopropane-1-carboxylic acid Traditional Name: 2-(7-chloro-2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)cyclopropanecarboxylic acid Formula: C19H15ClN2O3 MolecularWeight: 354.787

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1C(=O)O)C2C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4

Isomeric SMILES

C1C(C1C(=O)O)C2C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4

InChI

InChI=1S/C19H15ClN2O3/c20-11-6-7-15-14(8-11)16(10-4-2-1-3-5-10)22-17(18(23)21-15)12-9-13(12)19(24)25/h1-8,12-13,17H,9H2,(H,21,23)(H,24,25)