bis[3-(hydroxymethyl)-4-nitro-phenyl] pentanedioate

Systemtic Name: bis[3-(hydroxymethyl)-4-nitro-phenyl] pentanedioate Openeye Name: bis[3-(hydroxymethyl)-4-nitro-phenyl] pentanedioate CAS Name: pentanedioic acid bis[3-(hydroxymethyl)-4-nitrophenyl] ester IUPAC Name: bis[3-(hydroxymethyl)-4-nitrophenyl] pentanedioate Traditional Name: glutaric acid bis(3-methylol-4-nitro-phenyl) ester Formula: C19H18N2O10 MolecularWeight: 434.35362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OC(=O)CCCC(=O)OC2=CC(=C(C=C2)[N+](=O)[O-])CO)CO)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1OC(=O)CCCC(=O)OC2=CC(=C(C=C2)[N+](=O)[O-])CO)CO)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O10/c22-10-12-8-14(4-6-16(12)20(26)27)30-18(24)2-1-3-19(25)31-15-5-7-17(21(28)29)13(9-15)11-23/h4-9,22-23H,1-3,10-11H2