5-[(4-chlorophenyl)methyl]-8-nitro-6-oxidanylidene-N-propyl-benzo[b][1,4]benzoxazepine-3-carboxamide

Systemtic Name: 5-[(4-chlorophenyl)methyl]-8-nitro-6-oxidanylidene-N-propyl-benzo[b][1,4]benzoxazepine-3-carboxamide Openeye Name: 5-[(4-chlorophenyl)methyl]-8-nitro-6-oxo-N-propyl-benzo[b][1,4]benzoxazepine-3-carboxamide CAS Name: 5-[(4-chlorophenyl)methyl]-8-nitro-6-oxo-N-propyl-3-benzo[b][1,4]benzoxazepinecarboxamide IUPAC Name: 5-[(4-chlorophenyl)methyl]-8-nitro-6-oxo-N-propylbenzo[b][1,4]benzoxazepine-3-carboxamide Traditional Name: 5-(4-chlorobenzyl)-6-keto-8-nitro-N-propyl-benzo[b][1,4]benzoxazepine-3-carboxamide Formula: C24H20ClN3O5 MolecularWeight: 465.8857

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=C(C=C1)OC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2CC4=CC=C(C=C4)Cl

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)OC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H20ClN3O5/c1-2-11-26-23(29)16-5-9-22-20(12-16)27(14-15-3-6-17(25)7-4-15)24(30)19-13-18(28(31)32)8-10-21(19)33-22/h3-10,12-13H,2,11,14H2,1H3,(H,26,29)