2-(8-azanyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-3-yl)propanoic acid

Systemtic Name: 2-(8-azanyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-3-yl)propanoic acid Openeye Name: 2-(8-amino-6-oxo-5H-benzo[b][1,4]benzoxazepin-3-yl)propanoic acid CAS Name: 2-(8-amino-6-oxo-5H-benzo[b][1,4]benzoxazepin-3-yl)propanoic acid IUPAC Name: 2-(8-amino-6-oxo-5H-benzo[b][1,4]benzoxazepin-3-yl)propanoic acid Traditional Name: 2-(8-amino-6-keto-5H-benzo[b][1,4]benzoxazepin-3-yl)propionic acid Formula: C16H14N2O4 MolecularWeight: 298.29336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OC3=C(C=C(C=C3)N)C(=O)N2)C(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)OC3=C(C=C(C=C3)N)C(=O)N2)C(=O)O

InChI

InChI=1S/C16H14N2O4/c1-8(16(20)21)9-2-4-14-12(6-9)18-15(19)11-7-10(17)3-5-13(11)22-14/h2-8H,17H2,1H3,(H,18,19)(H,20,21)