2-(3-cyano-5-nitro-2-oxidanylidene-pyridin-1-yl)-N-[(2S)-3-methylbutan-2-yl]ethanamide

Systemtic Name: 2-(3-cyano-5-nitro-2-oxidanylidene-pyridin-1-yl)-N-[(2S)-3-methylbutan-2-yl]ethanamide Openeye Name: 2-(3-cyano-5-nitro-2-oxo-1-pyridyl)-N-[(1S)-1,2-dimethylpropyl]acetamide CAS Name: 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(2S)-3-methylbutan-2-yl]acetamide IUPAC Name: 2-(3-cyano-5-nitro-2-oxopyridin-1-yl)-N-[(2S)-3-methylbutan-2-yl]acetamide Traditional Name: 2-(3-cyano-2-keto-5-nitro-1-pyridyl)-N-[(1S)-1,2-dimethylpropyl]acetamide Formula: C13H16N4O4 MolecularWeight: 292.29054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)CN1C=C(C=C(C1=O)C#N)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(C)C)NC(=O)CN1C=C(C=C(C1=O)C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O4/c1-8(2)9(3)15-12(18)7-16-6-11(17(20)21)4-10(5-14)13(16)19/h4,6,8-9H,7H2,1-3H3,(H,15,18)/t9-/m0/s1