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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O4/c18-12-5-6-15-13(9-12)20(17(23)19-8-7-16(21)22)10-11-3-1-2-4-14(11)24-15/h1-6,9H,7-8,10H2,(H,19,23)(H,21,22)