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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O4/c1-3-4-9(2)15-12(18)8-16-7-11(17(20)21)5-10(6-14)13(16)19/h5,7,9H,3-4,8H2,1-2H3,(H,15,18)/t9-/m0/s1