methyl 2-(4-cyano-3,5-dimethyl-2-nitro-phenyl)ethanoate

Systemtic Name: methyl 2-(4-cyano-3,5-dimethyl-2-nitro-phenyl)ethanoate Openeye Name: methyl 2-(4-cyano-3,5-dimethyl-2-nitro-phenyl)acetate CAS Name: 2-(4-cyano-3,5-dimethyl-2-nitrophenyl)acetic acid methyl ester IUPAC Name: methyl 2-(4-cyano-3,5-dimethyl-2-nitrophenyl)acetate Traditional Name: 2-(4-cyano-3,5-dimethyl-2-nitro-phenyl)acetic acid methyl ester Formula: C12H12N2O4 MolecularWeight: 248.23468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C#N)C)[N+](=O)[O-])CC(=O)OC

Isomeric SMILES

CC1=CC(=C(C(=C1C#N)C)[N+](=O)[O-])CC(=O)OC

InChI

InChI=1S/C12H12N2O4/c1-7-4-9(5-11(15)18-3)12(14(16)17)8(2)10(7)6-13/h4H,5H2,1-3H3