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

Systemtic Name: [3-(2,4-dinitrophenyl)carbonyloxy-4-ethanoyl-phenyl] 2,4-dinitrobenzoate Openeye Name: [4-acetyl-3-(2,4-dinitrobenzoyl)oxy-phenyl] 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid [4-acetyl-3-[(2,4-dinitrophenyl)-oxomethoxy]phenyl] ester IUPAC Name: [4-acetyl-3-(2,4-dinitrobenzoyl)oxyphenyl] 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid [4-acetyl-3-(2,4-dinitrobenzoyl)oxy-phenyl] ester Formula: C22H12N4O13 MolecularWeight: 540.34968

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=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

CC(=O)C1=C(C=C(C=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/C22H12N4O13/c1-11(27)15-7-4-14(38-21(28)16-5-2-12(23(30)31)8-18(16)25(34)35)10-20(15)39-22(29)17-6-3-13(24(32)33)9-19(17)26(36)37/h2-10H,1H3