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

Systemtic Name: [2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 3,5-dinitrobenzoate Openeye Name: [2-(4-methoxyphenyl)-2-oxo-ethyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-(4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxyphenyl)-2-oxoethyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-keto-2-(4-methoxyphenyl)ethyl] ester Formula: C16H12N2O8 MolecularWeight: 360.27508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O8/c1-25-14-4-2-10(3-5-14)15(19)9-26-16(20)11-6-12(17(21)22)8-13(7-11)18(23)24/h2-8H,9H2,1H3