N-(2-cyanoethyl)-N,4-dimethyl-3-nitro-benzamide

Systemtic Name: N-(2-cyanoethyl)-N,4-dimethyl-3-nitro-benzamide Openeye Name: N-(2-cyanoethyl)-N,4-dimethyl-3-nitro-benzamide CAS Name: N-(2-cyanoethyl)-N,4-dimethyl-3-nitrobenzamide IUPAC Name: N-(2-cyanoethyl)-N,4-dimethyl-3-nitrobenzamide Traditional Name: N-(2-cyanoethyl)-N,4-dimethyl-3-nitro-benzamide Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O3/c1-9-4-5-10(8-11(9)15(17)18)12(16)14(2)7-3-6-13/h4-5,8H,3,7H2,1-2H3