4-(azepan-1-yl)-3-nitro-N-[2-oxidanylidene-2-(propylamino)ethyl]benzamide

Systemtic Name: 4-(azepan-1-yl)-3-nitro-N-[2-oxidanylidene-2-(propylamino)ethyl]benzamide Openeye Name: 4-(azepan-1-yl)-3-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide CAS Name: 4-(1-azepanyl)-3-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide IUPAC Name: 4-(azepan-1-yl)-3-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide Traditional Name: 4-(azepan-1-yl)-N-[2-keto-2-(propylamino)ethyl]-3-nitro-benzamide Formula: C18H26N4O4 MolecularWeight: 362.42344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CNC(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)CNC(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C18H26N4O4/c1-2-9-19-17(23)13-20-18(24)14-7-8-15(16(12-14)22(25)26)21-10-5-3-4-6-11-21/h7-8,12H,2-6,9-11,13H2,1H3,(H,19,23)(H,20,24)