5-butyl-7-(3-methylphenoxy)-9-nitro-benzo[b][1,4]benzoxazepin-6-one

Systemtic Name: 5-butyl-7-(3-methylphenoxy)-9-nitro-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 5-butyl-7-(3-methylphenoxy)-9-nitro-benzo[b][1,4]benzoxazepin-6-one CAS Name: 5-butyl-7-(3-methylphenoxy)-9-nitro-6-benzo[b][1,4]benzoxazepinone IUPAC Name: 5-butyl-7-(3-methylphenoxy)-9-nitrobenzo[b][1,4]benzoxazepin-6-one Traditional Name: 5-butyl-7-(3-methylphenoxy)-9-nitro-benzo[b][1,4]benzoxazepin-6-one Formula: C24H22N2O5 MolecularWeight: 418.44188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2OC3=C(C1=O)C(=CC(=C3)[N+](=O)[O-])OC4=CC=CC(=C4)C

Isomeric SMILES

CCCCN1C2=CC=CC=C2OC3=C(C1=O)C(=CC(=C3)[N+](=O)[O-])OC4=CC=CC(=C4)C

InChI

InChI=1S/C24H22N2O5/c1-3-4-12-25-19-10-5-6-11-20(19)31-22-15-17(26(28)29)14-21(23(22)24(25)27)30-18-9-7-8-16(2)13-18/h5-11,13-15H,3-4,12H2,1-2H3