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

Systemtic Name: 4-(azepan-1-yl)-3-nitro-N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]benzamide Openeye Name: 4-(azepan-1-yl)-N-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-3-nitro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide IUPAC Name: 4-(azepan-1-yl)-3-nitro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide Traditional Name: 4-(azepan-1-yl)-N-[(1S)-2-keto-1-methyl-2-(propylamino)ethyl]-3-nitro-benzamide Formula: C19H28N4O4 MolecularWeight: 376.45002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C19H28N4O4/c1-3-10-20-18(24)14(2)21-19(25)15-8-9-16(17(13-15)23(26)27)22-11-6-4-5-7-12-22/h8-9,13-14H,3-7,10-12H2,1-2H3,(H,20,24)(H,21,25)/t14-/m0/s1