bis(2,4-dinitrophenyl) 4-nitrobenzene-1,2-dicarboxylate

Systemtic Name: bis(2,4-dinitrophenyl) 4-nitrobenzene-1,2-dicarboxylate Openeye Name: bis(2,4-dinitrophenyl) 4-nitrobenzene-1,2-dicarboxylate CAS Name: 4-nitrobenzene-1,2-dicarboxylic acid bis(2,4-dinitrophenyl) ester IUPAC Name: bis(2,4-dinitrophenyl) 4-nitrobenzene-1,2-dicarboxylate Traditional Name: 4-nitrobenzene-1,2-dicarboxylic acid bis(2,4-dinitrophenyl) ester Formula: C20H9N5O14 MolecularWeight: 543.31056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H9N5O14/c26-19(38-17-5-2-11(22(30)31)8-15(17)24(34)35)13-4-1-10(21(28)29)7-14(13)20(27)39-18-6-3-12(23(32)33)9-16(18)25(36)37/h1-9H