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

Systemtic Name: 2-[(3-chloranyl-6H-benzo[b][1,4]benzoxazepin-5-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbonyl)amino]acetic acid CAS Name: 2-[[(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbonyl)amino]acetic acid Traditional Name: 2-[(3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbonyl)amino]acetic acid Formula: C16H13ClN2O4 MolecularWeight: 332.73842

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2OC3=C(N1C(=O)NCC(=O)O)C=C(C=C3)Cl

Isomeric SMILES

C1C2=CC=CC=C2OC3=C(N1C(=O)NCC(=O)O)C=C(C=C3)Cl

InChI

InChI=1S/C16H13ClN2O4/c17-11-5-6-14-12(7-11)19(16(22)18-8-15(20)21)9-10-3-1-2-4-13(10)23-14/h1-7H,8-9H2,(H,18,22)(H,20,21)