2-butyl-2-(5-nitropyridin-2-yl)propanedioic acid

Systemtic Name: 2-butyl-2-(5-nitropyridin-2-yl)propanedioic acid Openeye Name: 2-butyl-2-(5-nitro-2-pyridyl)propanedioic acid CAS Name: 2-butyl-2-(5-nitro-2-pyridinyl)propanedioic acid IUPAC Name: 2-butyl-2-(5-nitropyridin-2-yl)propanedioic acid Traditional Name: 2-butyl-2-(5-nitro-2-pyridyl)malonic acid Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=NC=C(C=C1)[N+](=O)[O-])(C(=O)O)C(=O)O

Isomeric SMILES

CCCCC(C1=NC=C(C=C1)[N+](=O)[O-])(C(=O)O)C(=O)O

InChI

InChI=1S/C12H14N2O6/c1-2-3-6-12(10(15)16,11(17)18)9-5-4-8(7-13-9)14(19)20/h4-5,7H,2-3,6H2,1H3,(H,15,16)(H,17,18)