2-(5-methoxy-4-methyl-5-oxidanylidene-pentyl)-2-(5-nitropyridin-2-yl)propanedioic acid

Systemtic Name: 2-(5-methoxy-4-methyl-5-oxidanylidene-pentyl)-2-(5-nitropyridin-2-yl)propanedioic acid Openeye Name: 2-(5-methoxy-4-methyl-5-oxo-pentyl)-2-(5-nitro-2-pyridyl)propanedioic acid CAS Name: 2-(5-methoxy-4-methyl-5-oxopentyl)-2-(5-nitro-2-pyridinyl)propanedioic acid IUPAC Name: 2-(5-methoxy-4-methyl-5-oxopentyl)-2-(5-nitropyridin-2-yl)propanedioic acid Traditional Name: 2-(5-keto-5-methoxy-4-methyl-pentyl)-2-(5-nitro-2-pyridyl)malonic acid Formula: C15H18N2O8 MolecularWeight: 354.31202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O8/c1-9(12(18)25-2)4-3-7-15(13(19)20,14(21)22)11-6-5-10(8-16-11)17(23)24/h5-6,8-9H,3-4,7H2,1-2H3,(H,19,20)(H,21,22)