N-[1-(cyanomethylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[1-(cyanomethylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: N-[2-(cyanomethylamino)-1-(cyclohexylmethyl)-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: N-[1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: N-[2-(cyanomethylamino)-1-(cyclohexylmethyl)-2-keto-ethyl]-3-nitro-benzamide Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NCC#N)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)CC(C(=O)NCC#N)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4/c19-9-10-20-18(24)16(11-13-5-2-1-3-6-13)21-17(23)14-7-4-8-15(12-14)22(25)26/h4,7-8,12-13,16H,1-3,5-6,10-11H2,(H,20,24)(H,21,23)