2-(3-cyano-5-nitro-2-oxidanylidene-pyridin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]ethanamide

Systemtic Name: 2-(3-cyano-5-nitro-2-oxidanylidene-pyridin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]ethanamide Openeye Name: 2-(3-cyano-5-nitro-2-oxo-1-pyridyl)-N-[(1R)-1-methyl-3-phenyl-propyl]acetamide CAS Name: 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(2R)-4-phenylbutan-2-yl]acetamide IUPAC Name: 2-(3-cyano-5-nitro-2-oxopyridin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide Traditional Name: 2-(3-cyano-2-keto-5-nitro-1-pyridyl)-N-[(1R)-1-methyl-3-phenyl-propyl]acetamide Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)CN2C=C(C=C(C2=O)C#N)[N+](=O)[O-]

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)CN2C=C(C=C(C2=O)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4/c1-13(7-8-14-5-3-2-4-6-14)20-17(23)12-21-11-16(22(25)26)9-15(10-19)18(21)24/h2-6,9,11,13H,7-8,12H2,1H3,(H,20,23)/t13-/m1/s1