diethyl 2-(5-nitropyridin-2-yl)-2-phenyl-propanedioate

Systemtic Name: diethyl 2-(5-nitropyridin-2-yl)-2-phenyl-propanedioate Openeye Name: diethyl 2-(5-nitro-2-pyridyl)-2-phenyl-propanedioate CAS Name: 2-(5-nitro-2-pyridinyl)-2-phenylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-(5-nitropyridin-2-yl)-2-phenylpropanedioate Traditional Name: 2-(5-nitro-2-pyridyl)-2-phenyl-malonic acid diethyl ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)(C2=NC=C(C=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1)(C2=NC=C(C=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C18H18N2O6/c1-3-25-16(21)18(17(22)26-4-2,13-8-6-5-7-9-13)15-11-10-14(12-19-15)20(23)24/h5-12H,3-4H2,1-2H3