N-[3-(5-butyl-9-nitro-6-oxidanylidene-benzo[b][1,4]benzoxazepin-7-yl)oxyphenyl]ethanamide

Systemtic Name: N-[3-(5-butyl-9-nitro-6-oxidanylidene-benzo[b][1,4]benzoxazepin-7-yl)oxyphenyl]ethanamide Openeye Name: N-[3-(5-butyl-9-nitro-6-oxo-benzo[b][1,4]benzoxazepin-7-yl)oxyphenyl]acetamide CAS Name: N-[3-[(5-butyl-9-nitro-6-oxo-7-benzo[b][1,4]benzoxazepinyl)oxy]phenyl]acetamide IUPAC Name: N-[3-(5-butyl-9-nitro-6-oxobenzo[b][1,4]benzoxazepin-7-yl)oxyphenyl]acetamide Traditional Name: N-[3-(5-butyl-6-keto-9-nitro-benzo[b][1,4]benzoxazepin-7-yl)oxyphenyl]acetamide Formula: C25H23N3O6 MolecularWeight: 461.46662

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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)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O6/c1-3-4-12-27-20-10-5-6-11-21(20)34-23-15-18(28(31)32)14-22(24(23)25(27)30)33-19-9-7-8-17(13-19)26-16(2)29/h5-11,13-15H,3-4,12H2,1-2H3,(H,26,29)