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

Systemtic Name: 5-butyl-7-(3-chloranylphenoxy)-9-nitro-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 5-butyl-7-(3-chlorophenoxy)-9-nitro-benzo[b][1,4]benzoxazepin-6-one CAS Name: 5-butyl-7-(3-chlorophenoxy)-9-nitro-6-benzo[b][1,4]benzoxazepinone IUPAC Name: 5-butyl-7-(3-chlorophenoxy)-9-nitrobenzo[b][1,4]benzoxazepin-6-one Traditional Name: 5-butyl-7-(3-chlorophenoxy)-9-nitro-benzo[b][1,4]benzoxazepin-6-one Formula: C23H19ClN2O5 MolecularWeight: 438.86036

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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H19ClN2O5/c1-2-3-11-25-18-9-4-5-10-19(18)31-21-14-16(26(28)29)13-20(22(21)23(25)27)30-17-8-6-7-15(24)12-17/h4-10,12-14H,2-3,11H2,1H3