N-[4-(2-cyanopropan-2-yl)phenyl]-2-nitro-ethanamide

Systemtic Name: N-[4-(2-cyanopropan-2-yl)phenyl]-2-nitro-ethanamide Openeye Name: N-[4-(1-cyano-1-methyl-ethyl)phenyl]-2-nitro-acetamide CAS Name: N-[4-(2-cyanopropan-2-yl)phenyl]-2-nitroacetamide IUPAC Name: N-[4-(2-cyanopropan-2-yl)phenyl]-2-nitroacetamide Traditional Name: N-[4-(1-cyano-1-methyl-ethyl)phenyl]-2-nitro-acetamide Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O3/c1-12(2,8-13)9-3-5-10(6-4-9)14-11(16)7-15(17)18/h3-6H,7H2,1-2H3,(H,14,16)