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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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