bis[(2,4-dinitrophenyl)methyl] benzene-1,4-dicarboxylate

Systemtic Name: bis[(2,4-dinitrophenyl)methyl] benzene-1,4-dicarboxylate Openeye Name: bis[(2,4-dinitrophenyl)methyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid bis[(2,4-dinitrophenyl)methyl] ester IUPAC Name: bis[(2,4-dinitrophenyl)methyl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid bis(2,4-dinitrobenzyl) ester Formula: C22H14N4O12 MolecularWeight: 526.36616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OCC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OCC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H14N4O12/c27-21(37-11-15-5-7-17(23(29)30)9-19(15)25(33)34)13-1-2-14(4-3-13)22(28)38-12-16-6-8-18(24(31)32)10-20(16)26(35)36/h1-10H,11-12H2