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

Systemtic Name: (6-methyl-3-nitro-2-oxidanylidene-1H-pyridin-4-yl) 3-methylbutanoate Openeye Name: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 3-methylbutanoate CAS Name: 3-methylbutanoic acid (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) ester IUPAC Name: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 3-methylbutanoate Traditional Name: 3-methylbutyric acid (2-keto-6-methyl-3-nitro-1H-pyridin-4-yl) ester Formula: C11H14N2O5 MolecularWeight: 254.23926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)CC(C)C

Isomeric SMILES

CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)CC(C)C

InChI

InChI=1S/C11H14N2O5/c1-6(2)4-9(14)18-8-5-7(3)12-11(15)10(8)13(16)17/h5-6H,4H2,1-3H3,(H,12,15)