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

Systemtic Name: 2-(3-cyano-5-nitro-2-oxidanylidene-pyridin-1-yl)-N-[(1R)-1-phenylbutyl]ethanamide Openeye Name: 2-(3-cyano-5-nitro-2-oxo-1-pyridyl)-N-[(1R)-1-phenylbutyl]acetamide CAS Name: 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-phenylbutyl]acetamide IUPAC Name: 2-(3-cyano-5-nitro-2-oxopyridin-1-yl)-N-[(1R)-1-phenylbutyl]acetamide Traditional Name: 2-(3-cyano-2-keto-5-nitro-1-pyridyl)-N-[(1R)-1-phenylbutyl]acetamide Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)CN2C=C(C=C(C2=O)C#N)[N+](=O)[O-]

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)NC(=O)CN2C=C(C=C(C2=O)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4/c1-2-6-16(13-7-4-3-5-8-13)20-17(23)12-21-11-15(22(25)26)9-14(10-19)18(21)24/h3-5,7-9,11,16H,2,6,12H2,1H3,(H,20,23)/t16-/m1/s1