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

Systemtic Name: 4-[(3-chloranyl-6H-benzo[b][1,4]benzoxazepin-5-yl)carbonyl]pyridine-3-carboxylic acid Openeye Name: 4-(3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbonyl)pyridine-3-carboxylic acid CAS Name: 4-[(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-oxomethyl]-3-pyridinecarboxylic acid IUPAC Name: 4-(3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbonyl)pyridine-3-carboxylic acid Traditional Name: 4-(3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbonyl)nicotinic 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(C=NC=C4)C(=O)O)C=C(C=C3)Cl

Isomeric SMILES

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

InChI

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