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

Systemtic Name: [4-(3,5-dinitrophenyl)carbonyloxy-3-methoxy-phenyl]methyl 3,5-dinitrobenzoate Openeye Name: [4-(3,5-dinitrobenzoyl)oxy-3-methoxy-phenyl]methyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [4-[(3,5-dinitrophenyl)-oxomethoxy]-3-methoxyphenyl]methyl ester IUPAC Name: [4-(3,5-dinitrobenzoyl)oxy-3-methoxyphenyl]methyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [4-(3,5-dinitrobenzoyl)oxy-3-methoxy-benzyl] ester Formula: C22H14N4O13 MolecularWeight: 542.36556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)COC(=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

COC1=C(C=CC(=C1)COC(=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/C22H14N4O13/c1-37-20-4-12(11-38-21(27)13-5-15(23(29)30)9-16(6-13)24(31)32)2-3-19(20)39-22(28)14-7-17(25(33)34)10-18(8-14)26(35)36/h2-10H,11H2,1H3