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

Systemtic Name: 2-(3-cyano-5-nitro-2-oxidanylidene-pyridin-1-yl)-N-[(2S)-octan-2-yl]ethanamide Openeye Name: 2-(3-cyano-5-nitro-2-oxo-1-pyridyl)-N-[(1S)-1-methylheptyl]acetamide CAS Name: 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(2S)-octan-2-yl]acetamide IUPAC Name: 2-(3-cyano-5-nitro-2-oxopyridin-1-yl)-N-[(2S)-octan-2-yl]acetamide Traditional Name: 2-(3-cyano-2-keto-5-nitro-1-pyridyl)-N-[(1S)-1-methylheptyl]acetamide Formula: C16H22N4O4 MolecularWeight: 334.37028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O4/c1-3-4-5-6-7-12(2)18-15(21)11-19-10-14(20(23)24)8-13(9-17)16(19)22/h8,10,12H,3-7,11H2,1-2H3,(H,18,21)/t12-/m0/s1