[3-(2,4-dinitrophenyl)carbonyloxy-5-methyl-phenyl] 2,4-dinitrobenzoate

Systemtic Name: [3-(2,4-dinitrophenyl)carbonyloxy-5-methyl-phenyl] 2,4-dinitrobenzoate Openeye Name: [3-(2,4-dinitrobenzoyl)oxy-5-methyl-phenyl] 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid [3-[(2,4-dinitrophenyl)-oxomethoxy]-5-methylphenyl] ester IUPAC Name: [3-(2,4-dinitrobenzoyl)oxy-5-methylphenyl] 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid [3-(2,4-dinitrobenzoyl)oxy-5-methyl-phenyl] ester Formula: C21H12N4O12 MolecularWeight: 512.33958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H12N4O12/c1-11-6-14(36-20(26)16-4-2-12(22(28)29)8-18(16)24(32)33)10-15(7-11)37-21(27)17-5-3-13(23(30)31)9-19(17)25(34)35/h2-10H,1H3