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

Systemtic Name: 2-(7-chloranyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)ethanoic acid Openeye Name: 2-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)acetic acid CAS Name: 2-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)acetic acid IUPAC Name: 2-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)acetic acid Traditional Name: 2-(7-chloro-2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)acetic acid Formula: C17H13ClN2O3 MolecularWeight: 328.74972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)CC(=O)O

InChI

InChI=1S/C17H13ClN2O3/c18-11-6-7-13-12(8-11)16(10-4-2-1-3-5-10)19-14(9-15(21)22)17(23)20-13/h1-8,14H,9H2,(H,20,23)(H,21,22)