2-(3-cyano-5-nitro-2-oxidanylidene-pyridin-1-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]ethanamide

Systemtic Name: 2-(3-cyano-5-nitro-2-oxidanylidene-pyridin-1-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]ethanamide Openeye Name: 2-(3-cyano-5-nitro-2-oxo-1-pyridyl)-N-[(1S)-1-(4-isobutylphenyl)ethyl]acetamide CAS Name: 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide IUPAC Name: 2-(3-cyano-5-nitro-2-oxopyridin-1-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide Traditional Name: 2-(3-cyano-2-keto-5-nitro-1-pyridyl)-N-[(1S)-1-(4-isobutylphenyl)ethyl]acetamide Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)NC(=O)CN2C=C(C=C(C2=O)C#N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4/c1-13(2)8-15-4-6-16(7-5-15)14(3)22-19(25)12-23-11-18(24(27)28)9-17(10-21)20(23)26/h4-7,9,11,13-14H,8,12H2,1-3H3,(H,22,25)/t14-/m0/s1