5-butyl-7-(2-methoxyphenoxy)-9-nitro-benzo[b][1,4]benzoxazepin-6-one

Systemtic Name: 5-butyl-7-(2-methoxyphenoxy)-9-nitro-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 5-butyl-7-(2-methoxyphenoxy)-9-nitro-benzo[b][1,4]benzoxazepin-6-one CAS Name: 5-butyl-7-(2-methoxyphenoxy)-9-nitro-6-benzo[b][1,4]benzoxazepinone IUPAC Name: 5-butyl-7-(2-methoxyphenoxy)-9-nitrobenzo[b][1,4]benzoxazepin-6-one Traditional Name: 5-butyl-7-(2-methoxyphenoxy)-9-nitro-benzo[b][1,4]benzoxazepin-6-one Formula: C24H22N2O6 MolecularWeight: 434.44128

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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=C4OC

Isomeric SMILES

CCCCN1C2=CC=CC=C2OC3=C(C1=O)C(=CC(=C3)[N+](=O)[O-])OC4=CC=CC=C4OC

InChI

InChI=1S/C24H22N2O6/c1-3-4-13-25-17-9-5-6-10-18(17)31-21-14-16(26(28)29)15-22(23(21)24(25)27)32-20-12-8-7-11-19(20)30-2/h5-12,14-15H,3-4,13H2,1-2H3