(3-nitro-1,2-dihydropyridin-2-yl) 3,3-dimethyl-2-oxidanylidene-butanoate

Systemtic Name: (3-nitro-1,2-dihydropyridin-2-yl) 3,3-dimethyl-2-oxidanylidene-butanoate Openeye Name: (3-nitro-1,2-dihydropyridin-2-yl) 3,3-dimethyl-2-oxo-butanoate CAS Name: 3,3-dimethyl-2-oxobutanoic acid (3-nitro-1,2-dihydropyridin-2-yl) ester IUPAC Name: (3-nitro-1,2-dihydropyridin-2-yl) 3,3-dimethyl-2-oxobutanoate Traditional Name: 2-keto-3,3-dimethyl-butyric acid (3-nitro-1,2-dihydropyridin-2-yl) ester Formula: C11H14N2O5 MolecularWeight: 254.23926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=O)OC1C(=CC=CN1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)C(=O)OC1C(=CC=CN1)[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O5/c1-11(2,3)8(14)10(15)18-9-7(13(16)17)5-4-6-12-9/h4-6,9,12H,1-3H3