(4-methylphenyl)-(8-nitro-5,6-dihydrobenzo[b][1,4]benzoxazepin-4-yl)methanone

Systemtic Name: (4-methylphenyl)-(8-nitro-5,6-dihydrobenzo[b][1,4]benzoxazepin-4-yl)methanone Openeye Name: (8-nitro-5,6-dihydrobenzo[b][1,4]benzoxazepin-4-yl)-(p-tolyl)methanone CAS Name: (4-methylphenyl)-(8-nitro-5,6-dihydrobenzo[b][1,4]benzoxazepin-4-yl)methanone IUPAC Name: (4-methylphenyl)-(8-nitro-5,6-dihydrobenzo[b][1,4]benzoxazepin-4-yl)methanone Traditional Name: (8-nitro-5,6-dihydrobenzo[b][1,4]benzoxazepin-4-yl)-(p-tolyl)methanone Formula: C21H16N2O4 MolecularWeight: 360.36274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C3C(=CC=C2)OC4=C(CN3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C3C(=CC=C2)OC4=C(CN3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O4/c1-13-5-7-14(8-6-13)21(24)17-3-2-4-19-20(17)22-12-15-11-16(23(25)26)9-10-18(15)27-19/h2-11,22H,12H2,1H3