2-(4-methylphenyl)ethyl 3,5-dinitrobenzoate

Systemtic Name: 2-(4-methylphenyl)ethyl 3,5-dinitrobenzoate Openeye Name: 2-(p-tolyl)ethyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 2-(4-methylphenyl)ethyl ester IUPAC Name: 2-(4-methylphenyl)ethyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 2-(p-tolyl)ethyl ester Formula: C16H14N2O6 MolecularWeight: 330.29216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O6/c1-11-2-4-12(5-3-11)6-7-24-16(19)13-8-14(17(20)21)10-15(9-13)18(22)23/h2-5,8-10H,6-7H2,1H3