dimethyl 2-(5-nitropyridin-2-yl)-2-prop-2-enyl-propanedioate

Systemtic Name: dimethyl 2-(5-nitropyridin-2-yl)-2-prop-2-enyl-propanedioate Openeye Name: dimethyl 2-allyl-2-(5-nitro-2-pyridyl)propanedioate CAS Name: 2-(5-nitro-2-pyridinyl)-2-prop-2-enylpropanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(5-nitropyridin-2-yl)-2-prop-2-enylpropanedioate Traditional Name: 2-allyl-2-(5-nitro-2-pyridyl)malonic acid dimethyl ester Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC=C)(C1=NC=C(C=C1)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C(CC=C)(C1=NC=C(C=C1)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H14N2O6/c1-4-7-13(11(16)20-2,12(17)21-3)10-6-5-9(8-14-10)15(18)19/h4-6,8H,1,7H2,2-3H3