2-methyl-8-nitro-5-octyl-benzo[b][1,4]benzoxazepin-6-one

Systemtic Name: 2-methyl-8-nitro-5-octyl-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 2-methyl-8-nitro-5-octyl-benzo[b][1,4]benzoxazepin-6-one CAS Name: 2-methyl-8-nitro-5-octyl-6-benzo[b][1,4]benzoxazepinone IUPAC Name: 2-methyl-8-nitro-5-octylbenzo[b][1,4]benzoxazepin-6-one Traditional Name: 2-methyl-8-nitro-5-octyl-benzo[b][1,4]benzoxazepin-6-one Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(C=C(C=C2)C)OC3=C(C1=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCN1C2=C(C=C(C=C2)C)OC3=C(C1=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O4/c1-3-4-5-6-7-8-13-23-19-11-9-16(2)14-21(19)28-20-12-10-17(24(26)27)15-18(20)22(23)25/h9-12,14-15H,3-8,13H2,1-2H3