5-[(3-methylphenyl)methyl]-7-nitro-9-phenoxy-benzo[b][1,4]benzoxazepin-6-one

Systemtic Name: 5-[(3-methylphenyl)methyl]-7-nitro-9-phenoxy-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 5-(m-tolylmethyl)-7-nitro-9-phenoxy-benzo[b][1,4]benzoxazepin-6-one CAS Name: 5-[(3-methylphenyl)methyl]-7-nitro-9-phenoxy-6-benzo[b][1,4]benzoxazepinone IUPAC Name: 5-[(3-methylphenyl)methyl]-7-nitro-9-phenoxybenzo[b][1,4]benzoxazepin-6-one Traditional Name: 5-(3-methylbenzyl)-7-nitro-9-phenoxy-benzo[b][1,4]benzoxazepin-6-one Formula: C27H20N2O5 MolecularWeight: 452.4581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=CC=CC=C3OC4=C(C2=O)C(=CC(=C4)OC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=CC=CC=C3OC4=C(C2=O)C(=CC(=C4)OC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H20N2O5/c1-18-8-7-9-19(14-18)17-28-22-12-5-6-13-24(22)34-25-16-21(33-20-10-3-2-4-11-20)15-23(29(31)32)26(25)27(28)30/h2-16H,17H2,1H3