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

Systemtic Name: 2-[(3-chloranyl-6H-benzo[b][1,4]benzoxazepin-5-yl)carbonylamino]propanoic acid Openeye Name: 2-[(3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbonyl)amino]propanoic acid CAS Name: 2-[[(3-chloro-6H-benzo[b][1,4]benzoxazepin-5-yl)-oxomethyl]amino]propanoic acid IUPAC Name: 2-[(3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbonyl)amino]propanoic acid Traditional Name: 2-[(3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbonyl)amino]propionic acid Formula: C17H15ClN2O4 MolecularWeight: 346.765

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)N1CC2=CC=CC=C2OC3=C1C=C(C=C3)Cl

Isomeric SMILES

CC(C(=O)O)NC(=O)N1CC2=CC=CC=C2OC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C17H15ClN2O4/c1-10(16(21)22)19-17(23)20-9-11-4-2-3-5-14(11)24-15-7-6-12(18)8-13(15)20/h2-8,10H,9H2,1H3,(H,19,23)(H,21,22)