N-(2-cyanoethyl)-N,2-dimethyl-6-nitro-benzamide

Systemtic Name: N-(2-cyanoethyl)-N,2-dimethyl-6-nitro-benzamide Openeye Name: N-(2-cyanoethyl)-N,2-dimethyl-6-nitro-benzamide CAS Name: N-(2-cyanoethyl)-N,2-dimethyl-6-nitrobenzamide IUPAC Name: N-(2-cyanoethyl)-N,2-dimethyl-6-nitrobenzamide Traditional Name: N-(2-cyanoethyl)-N,2-dimethyl-6-nitro-benzamide Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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