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

Systemtic Name: 4-(7-chloranyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzoic acid Openeye Name: 4-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzoic acid CAS Name: 4-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzoic acid IUPAC Name: 4-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzoic acid Traditional Name: 4-(7-chloro-2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzoic acid Formula: C22H15ClN2O3 MolecularWeight: 390.8191

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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)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H15ClN2O3/c23-16-10-11-18-17(12-16)19(13-4-2-1-3-5-13)25-20(21(26)24-18)14-6-8-15(9-7-14)22(27)28/h1-12,20H,(H,24,26)(H,27,28)