1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(2,6-dimethyl-4-nitro-phenoxy)ethanone

Systemtic Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(2,6-dimethyl-4-nitro-phenoxy)ethanone Openeye Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(2,6-dimethyl-4-nitro-phenoxy)ethanone CAS Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(2,6-dimethyl-4-nitrophenoxy)ethanone IUPAC Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(2,6-dimethyl-4-nitrophenoxy)ethanone Traditional Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-(2,6-dimethyl-4-nitro-phenoxy)ethanone Formula: C24H22N2O4 MolecularWeight: 402.44248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42)C)[N+](=O)[O-]

InChI

InChI=1S/C24H22N2O4/c1-16-13-20(26(28)29)14-17(2)24(16)30-15-23(27)25-21-9-5-3-7-18(21)11-12-19-8-4-6-10-22(19)25/h3-10,13-14H,11-12,15H2,1-2H3