(6-methyl-3-nitro-2-oxidanylidene-1H-pyridin-4-yl) 2-propylpentanoate

Systemtic Name: (6-methyl-3-nitro-2-oxidanylidene-1H-pyridin-4-yl) 2-propylpentanoate Openeye Name: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 2-propylpentanoate CAS Name: 2-propylpentanoic acid (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) ester IUPAC Name: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 2-propylpentanoate Traditional Name: 2-propylvaleric acid (2-keto-6-methyl-3-nitro-1H-pyridin-4-yl) ester Formula: C14H20N2O5 MolecularWeight: 296.319

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)OC1=C(C(=O)NC(=C1)C)[N+](=O)[O-]

Isomeric SMILES

CCCC(CCC)C(=O)OC1=C(C(=O)NC(=C1)C)[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O5/c1-4-6-10(7-5-2)14(18)21-11-8-9(3)15-13(17)12(11)16(19)20/h8,10H,4-7H2,1-3H3,(H,15,17)