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

Systemtic Name: 2-(8-nitro-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-3-yl)propanoic acid Openeye Name: 2-(8-nitro-6-oxo-5H-benzo[b][1,4]benzoxazepin-3-yl)propanoic acid CAS Name: 2-(8-nitro-6-oxo-5H-benzo[b][1,4]benzoxazepin-3-yl)propanoic acid IUPAC Name: 2-(8-nitro-6-oxo-5H-benzo[b][1,4]benzoxazepin-3-yl)propanoic acid Traditional Name: 2-(6-keto-8-nitro-5H-benzo[b][1,4]benzoxazepin-3-yl)propionic acid Formula: C16H12N2O6 MolecularWeight: 328.27628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2)C(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)OC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2)C(=O)O

InChI

InChI=1S/C16H12N2O6/c1-8(16(20)21)9-2-4-14-12(6-9)17-15(19)11-7-10(18(22)23)3-5-13(11)24-14/h2-8H,1H3,(H,17,19)(H,20,21)