methyl 4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C24H20N2O6 MolecularWeight: 432.4254

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42)[N+](=O)[O-]

InChI

InChI=1S/C24H20N2O6/c1-31-24(28)18-12-13-22(21(14-18)26(29)30)32-15-23(27)25-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)25/h2-9,12-14H,10-11,15H2,1H3