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

Systemtic Name: 3-[(3-chloranyl-6H-benzo[b][1,4]benzoxazepin-5-yl)carbonyl]pyridine-2-carboxylic acid Openeye Name: 3-(3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbonyl)pyridine-2-carboxylic acid CAS Name: 3-[(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-oxomethyl]-2-pyridinecarboxylic acid IUPAC Name: 3-(3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbonyl)pyridine-2-carboxylic acid Traditional Name: 3-(3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbonyl)picolinic acid Formula: C20H13ClN2O4 MolecularWeight: 380.78122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13ClN2O4/c21-13-7-8-17-15(10-13)23(11-12-4-1-2-6-16(12)27-17)19(24)14-5-3-9-22-18(14)20(25)26/h1-10H,11H2,(H,25,26)