methyl 3,4-dimethyl-5-nitro-benzoate

Systemtic Name: methyl 3,4-dimethyl-5-nitro-benzoate Openeye Name: methyl 3,4-dimethyl-5-nitro-benzoate CAS Name: 3,4-dimethyl-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3,4-dimethyl-5-nitrobenzoate Traditional Name: 3,4-dimethyl-5-nitro-benzoic acid methyl ester Formula: C10H11NO4 MolecularWeight: 209.19864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO4/c1-6-4-8(10(12)15-3)5-9(7(6)2)11(13)14/h4-5H,1-3H3