[3-(2-methyl-3,5-dinitro-phenyl)carbonyloxyphenyl] 2-methyl-3,5-dinitro-benzoate

Systemtic Name: [3-(2-methyl-3,5-dinitro-phenyl)carbonyloxyphenyl] 2-methyl-3,5-dinitro-benzoate Openeye Name: [3-(2-methyl-3,5-dinitro-benzoyl)oxyphenyl] 2-methyl-3,5-dinitro-benzoate CAS Name: 2-methyl-3,5-dinitrobenzoic acid [3-[(2-methyl-3,5-dinitrophenyl)-oxomethoxy]phenyl] ester IUPAC Name: [3-(2-methyl-3,5-dinitrobenzoyl)oxyphenyl] 2-methyl-3,5-dinitrobenzoate Traditional Name: 2-methyl-3,5-dinitro-benzoic acid [3-(2-methyl-3,5-dinitro-benzoyl)oxyphenyl] ester Formula: C22H14N4O12 MolecularWeight: 526.36616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)OC2=CC(=CC=C2)OC(=O)C3=CC(=CC(=C3C)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)OC2=CC(=CC=C2)OC(=O)C3=CC(=CC(=C3C)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H14N4O12/c1-11-17(6-13(23(29)30)8-19(11)25(33)34)21(27)37-15-4-3-5-16(10-15)38-22(28)18-7-14(24(31)32)9-20(12(18)2)26(35)36/h3-10H,1-2H3