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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O6/c1-3-11-4-6-13(7-5-11)24-16(19)12-8-14(17(20)21)10(2)15(9-12)18(22)23/h4-9H,3H2,1-2H3