[2-(4-methoxyphenyl)-2-oxidanylidene-1-phenyl-ethyl] 2-methyl-3,5-dinitro-benzoate

Systemtic Name: [2-(4-methoxyphenyl)-2-oxidanylidene-1-phenyl-ethyl] 2-methyl-3,5-dinitro-benzoate Openeye Name: [2-(4-methoxyphenyl)-2-oxo-1-phenyl-ethyl] 2-methyl-3,5-dinitro-benzoate CAS Name: 2-methyl-3,5-dinitrobenzoic acid [2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 2-methyl-3,5-dinitrobenzoate Traditional Name: 2-methyl-3,5-dinitro-benzoic acid [2-keto-2-(4-methoxyphenyl)-1-phenyl-ethyl] ester Formula: C23H18N2O8 MolecularWeight: 450.39762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)OC(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)OC(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H18N2O8/c1-14-19(12-17(24(28)29)13-20(14)25(30)31)23(27)33-22(16-6-4-3-5-7-16)21(26)15-8-10-18(32-2)11-9-15/h3-13,22H,1-2H3