[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 3-(2,4-dinitrophenoxy)benzoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 3-(2,4-dinitrophenoxy)benzoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 3-(2,4-dinitrophenoxy)benzoate CAS Name: 3-(2,4-dinitrophenoxy)benzoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 3-(2,4-dinitrophenoxy)benzoate Traditional Name: 3-(2,4-dinitrophenoxy)benzoic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C23H18N2O8 MolecularWeight: 450.39762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC(=CC=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC(=CC=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H18N2O8/c1-14-6-7-15(2)19(10-14)21(26)13-32-23(27)16-4-3-5-18(11-16)33-22-9-8-17(24(28)29)12-20(22)25(30)31/h3-12H,13H2,1-2H3