N-(2-cyanoethyl)-4-methoxy-N-methyl-3-nitro-benzamide

Systemtic Name: N-(2-cyanoethyl)-4-methoxy-N-methyl-3-nitro-benzamide Openeye Name: N-(2-cyanoethyl)-4-methoxy-N-methyl-3-nitro-benzamide CAS Name: N-(2-cyanoethyl)-4-methoxy-N-methyl-3-nitrobenzamide IUPAC Name: N-(2-cyanoethyl)-4-methoxy-N-methyl-3-nitrobenzamide Traditional Name: N-(2-cyanoethyl)-4-methoxy-N-methyl-3-nitro-benzamide Formula: C12H13N3O4 MolecularWeight: 263.24932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O4/c1-14(7-3-6-13)12(16)9-4-5-11(19-2)10(8-9)15(17)18/h4-5,8H,3,7H2,1-2H3