1-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-6-nitro-cyclohexa-2,4-diene-1-carboxamide

Systemtic Name: 1-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-6-nitro-cyclohexa-2,4-diene-1-carboxamide Openeye Name: 1-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-6-nitro-cyclohexa-2,4-diene-1-carboxamide CAS Name: 1-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-6-nitro-1-cyclohexa-2,4-dienecarboxamide IUPAC Name: 1-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-6-nitrocyclohexa-2,4-diene-1-carboxamide Traditional Name: 1-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-6-nitro-cyclohexa-2,4-diene-1-carboxamide Formula: C15H20N4O4 MolecularWeight: 320.3437

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)C1(C=CC=CC1[N+](=O)[O-])C(=O)N

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)C1(C=CC=CC1[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C15H20N4O4/c1-10(2)9-11(13(20)18-8-7-16)15(14(17)21)6-4-3-5-12(15)19(22)23/h3-6,10-12H,8-9H2,1-2H3,(H2,17,21)(H,18,20)