[2-oxidanylidene-2-(4-phenylphenyl)ethyl] 3,5-dinitrobenzoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylphenyl)ethyl] 3,5-dinitrobenzoate Openeye Name: [2-oxo-2-(4-phenylphenyl)ethyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-oxo-2-(4-phenylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylphenyl)ethyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-keto-2-(4-phenylphenyl)ethyl] ester Formula: C21H14N2O7 MolecularWeight: 406.34506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14N2O7/c24-20(16-8-6-15(7-9-16)14-4-2-1-3-5-14)13-30-21(25)17-10-18(22(26)27)12-19(11-17)23(28)29/h1-12H,13H2