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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1OC(=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=C(C=CC=C1OC(=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/c1-11-18(36-20(26)12-5-14(22(28)29)9-15(6-12)23(30)31)3-2-4-19(11)37-21(27)13-7-16(24(32)33)10-17(8-13)25(34)35/h2-10H,1H3