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

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

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

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