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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)C3=C(O2)C=CC(=C3)[N+](=O)[O-])CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)C3=C(O2)C=CC(=C3)[N+](=O)[O-])CCC(=O)O

InChI

InChI=1S/C16H12N2O6/c19-15(20)7-8-17-12-3-1-2-4-14(12)24-13-6-5-10(18(22)23)9-11(13)16(17)21/h1-6,9H,7-8H2,(H,19,20)