methyl 3,5-dinitro-4-phenyl-benzoate

Systemtic Name: methyl 3,5-dinitro-4-phenyl-benzoate Openeye Name: methyl 3,5-dinitro-4-phenyl-benzoate CAS Name: 3,5-dinitro-4-phenylbenzoic acid methyl ester IUPAC Name: methyl 3,5-dinitro-4-phenylbenzoate Traditional Name: 3,5-dinitro-4-phenyl-benzoic acid methyl ester Formula: C14H10N2O6 MolecularWeight: 302.239

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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