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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O6/c1-10-3-5-12(6-4-10)9-24-16(19)13-7-14(17(20)21)11(2)15(8-13)18(22)23/h3-8H,9H2,1-2H3