(3,4-dimethylphenyl) 4-methyl-3,5-dinitro-benzoate

Systemtic Name: (3,4-dimethylphenyl) 4-methyl-3,5-dinitro-benzoate Openeye Name: (3,4-dimethylphenyl) 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid (3,4-dimethylphenyl) ester Formula: C16H14N2O6 MolecularWeight: 330.29216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O6/c1-9-4-5-13(6-10(9)2)24-16(19)12-7-14(17(20)21)11(3)15(8-12)18(22)23/h4-8H,1-3H3