(2-methylphenyl) 4-methyl-3,5-dinitro-benzoate

Systemtic Name: (2-methylphenyl) 4-methyl-3,5-dinitro-benzoate Openeye Name: o-tolyl 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid (2-methylphenyl) ester IUPAC Name: (2-methylphenyl) 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid o-tolyl ester Formula: C15H12N2O6 MolecularWeight: 316.26558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C15H12N2O6/c1-9-5-3-4-6-14(9)23-15(18)11-7-12(16(19)20)10(2)13(8-11)17(21)22/h3-8H,1-2H3