N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-2-nitro-benzamide

Systemtic Name: N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-2-nitro-benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-2-nitro-benzamide CAS Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-2-nitrobenzamide IUPAC Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-2-nitrobenzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-2-nitro-benzamide Formula: C15H18N4O4 MolecularWeight: 318.32782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O4/c1-10(2)9-12(15(21)17-8-7-16)18-14(20)11-5-3-4-6-13(11)19(22)23/h3-6,10,12H,8-9H2,1-2H3,(H,17,21)(H,18,20)