5-butyl-9-nitro-7-phenoxy-benzo[b][1,4]benzoxazepin-6-one

Systemtic Name: 5-butyl-9-nitro-7-phenoxy-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 5-butyl-9-nitro-7-phenoxy-benzo[b][1,4]benzoxazepin-6-one CAS Name: 5-butyl-9-nitro-7-phenoxy-6-benzo[b][1,4]benzoxazepinone IUPAC Name: 5-butyl-9-nitro-7-phenoxybenzo[b][1,4]benzoxazepin-6-one Traditional Name: 5-butyl-9-nitro-7-phenoxy-benzo[b][1,4]benzoxazepin-6-one Formula: C23H20N2O5 MolecularWeight: 404.4153

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O5/c1-2-3-13-24-18-11-7-8-12-19(18)30-21-15-16(25(27)28)14-20(22(21)23(24)26)29-17-9-5-4-6-10-17/h4-12,14-15H,2-3,13H2,1H3