[2-methyl-4-(3-methylphenyl)phenyl] 2,4-dinitrobenzoate

Systemtic Name: [2-methyl-4-(3-methylphenyl)phenyl] 2,4-dinitrobenzoate Openeye Name: [2-methyl-4-(m-tolyl)phenyl] 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid [2-methyl-4-(3-methylphenyl)phenyl] ester IUPAC Name: [2-methyl-4-(3-methylphenyl)phenyl] 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid [2-methyl-4-(m-tolyl)phenyl] ester Formula: C21H16N2O6 MolecularWeight: 392.36154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC(=C(C=C2)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC(=C(C=C2)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C21H16N2O6/c1-13-4-3-5-15(10-13)16-6-9-20(14(2)11-16)29-21(24)18-8-7-17(22(25)26)12-19(18)23(27)28/h3-12H,1-2H3