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

Systemtic Name: [3-(3,5-dinitrophenyl)carbonyloxy-5-methyl-phenyl] 3,5-dinitrobenzoate Openeye Name: [3-(3,5-dinitrobenzoyl)oxy-5-methyl-phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [3-[(3,5-dinitrophenyl)-oxomethoxy]-5-methylphenyl] ester IUPAC Name: [3-(3,5-dinitrobenzoyl)oxy-5-methylphenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [3-(3,5-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=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

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