ethyl 2-[(9-nitro-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-7-yl)oxy]benzoate

Systemtic Name: ethyl 2-[(9-nitro-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-7-yl)oxy]benzoate Openeye Name: ethyl 2-[(9-nitro-6-oxo-5H-benzo[b][1,4]benzoxazepin-7-yl)oxy]benzoate CAS Name: 2-[(9-nitro-6-oxo-5H-benzo[b][1,4]benzoxazepin-7-yl)oxy]benzoic acid ethyl ester IUPAC Name: ethyl 2-[(9-nitro-6-oxo-5H-benzo[b][1,4]benzoxazepin-7-yl)oxy]benzoate Traditional Name: 2-[(6-keto-9-nitro-5H-benzo[b][1,4]benzoxazepin-7-yl)oxy]benzoic acid ethyl ester Formula: C22H16N2O7 MolecularWeight: 420.37164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1OC2=CC(=CC3=C2C(=O)NC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1OC2=CC(=CC3=C2C(=O)NC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C22H16N2O7/c1-2-29-22(26)14-7-3-5-9-16(14)30-18-11-13(24(27)28)12-19-20(18)21(25)23-15-8-4-6-10-17(15)31-19/h3-12H,2H2,1H3,(H,23,25)