3-(8-azanyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-5-yl)propanoic acid

Systemtic Name: 3-(8-azanyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-5-yl)propanoic acid Openeye Name: 3-(8-amino-6-oxo-benzo[b][1,4]benzoxazepin-5-yl)propanoic acid CAS Name: 3-(8-amino-6-oxo-5-benzo[b][1,4]benzoxazepinyl)propanoic acid IUPAC Name: 3-(8-amino-6-oxobenzo[b][1,4]benzoxazepin-5-yl)propanoic acid Traditional Name: 3-(8-amino-6-keto-benzo[b][1,4]benzoxazepin-5-yl)propionic acid Formula: C16H14N2O4 MolecularWeight: 298.29336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)C3=C(O2)C=CC(=C3)N)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)C3=C(O2)C=CC(=C3)N)CCC(=O)O

InChI

InChI=1S/C16H14N2O4/c17-10-5-6-13-11(9-10)16(21)18(8-7-15(19)20)12-3-1-2-4-14(12)22-13/h1-6,9H,7-8,17H2,(H,19,20)