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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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