4-(cyclopropylamino)-3-nitro-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzamide

Systemtic Name: 4-(cyclopropylamino)-3-nitro-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzamide Openeye Name: 4-(cyclopropylamino)-3-nitro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide CAS Name: 4-(cyclopropylamino)-3-nitro-N-[3-(2-oxo-1-azepanyl)propyl]benzamide IUPAC Name: 4-(cyclopropylamino)-3-nitro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide Traditional Name: 4-(cyclopropylamino)-N-[3-(2-ketoazepan-1-yl)propyl]-3-nitro-benzamide Formula: C19H26N4O4 MolecularWeight: 374.43414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C19H26N4O4/c24-18-5-2-1-3-11-22(18)12-4-10-20-19(25)14-6-9-16(21-15-7-8-15)17(13-14)23(26)27/h6,9,13,15,21H,1-5,7-8,10-12H2,(H,20,25)