2-[(3-chloranyl-6H-benzo[b][1,4]benzoxazepin-5-yl)carbonyl]benzoic acid

Systemtic Name: 2-[(3-chloranyl-6H-benzo[b][1,4]benzoxazepin-5-yl)carbonyl]benzoic acid Openeye Name: 2-(3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbonyl)benzoic acid CAS Name: 2-[(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-oxomethyl]benzoic acid IUPAC Name: 2-(3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbonyl)benzoic acid Traditional Name: 2-(3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbonyl)benzoic acid Formula: C21H14ClNO4 MolecularWeight: 379.79316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2OC3=C(N1C(=O)C4=CC=CC=C4C(=O)O)C=C(C=C3)Cl

Isomeric SMILES

C1C2=CC=CC=C2OC3=C(N1C(=O)C4=CC=CC=C4C(=O)O)C=C(C=C3)Cl

InChI

InChI=1S/C21H14ClNO4/c22-14-9-10-19-17(11-14)23(12-13-5-1-4-8-18(13)27-19)20(24)15-6-2-3-7-16(15)21(25)26/h1-11H,12H2,(H,25,26)