(3,4-dimethylphenyl) 4-nitrobenzoate

Systemtic Name: (3,4-dimethylphenyl) 4-nitrobenzoate Openeye Name: (3,4-dimethylphenyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (3,4-dimethylphenyl) ester Formula: C15H13NO4 MolecularWeight: 271.26802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C15H13NO4/c1-10-3-8-14(9-11(10)2)20-15(17)12-4-6-13(7-5-12)16(18)19/h3-9H,1-2H3