bis(phenylmethyl) 2-(3-nitropyridin-4-yl)propanedioate

Systemtic Name: bis(phenylmethyl) 2-(3-nitropyridin-4-yl)propanedioate Openeye Name: dibenzyl 2-(3-nitro-4-pyridyl)propanedioate CAS Name: 2-(3-nitro-4-pyridinyl)propanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-(3-nitropyridin-4-yl)propanedioate Traditional Name: 2-(3-nitro-4-pyridyl)malonic acid dibenzyl ester Formula: C22H18N2O6 MolecularWeight: 406.38812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(C2=C(C=NC=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(C2=C(C=NC=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H18N2O6/c25-21(29-14-16-7-3-1-4-8-16)20(18-11-12-23-13-19(18)24(27)28)22(26)30-15-17-9-5-2-6-10-17/h1-13,20H,14-15H2