(4-methylphenyl) 3,5-dinitrobenzoate

Systemtic Name: (4-methylphenyl) 3,5-dinitrobenzoate Openeye Name: p-tolyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid p-tolyl ester Formula: C14H10N2O6 MolecularWeight: 302.239

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N2O6/c1-9-2-4-13(5-3-9)22-14(17)10-6-11(15(18)19)8-12(7-10)16(20)21/h2-8H,1H3