(2S)-2-cyano-N-(2-fluoranyl-5-methyl-phenyl)-3-(2-nitrophenyl)-3-oxidanylidene-propanamide

Systemtic Name: (2S)-2-cyano-N-(2-fluoranyl-5-methyl-phenyl)-3-(2-nitrophenyl)-3-oxidanylidene-propanamide Openeye Name: (2S)-2-cyano-N-(2-fluoro-5-methyl-phenyl)-3-(2-nitrophenyl)-3-oxo-propanamide CAS Name: (2S)-2-cyano-N-(2-fluoro-5-methylphenyl)-3-(2-nitrophenyl)-3-oxopropanamide IUPAC Name: (2S)-2-cyano-N-(2-fluoro-5-methylphenyl)-3-(2-nitrophenyl)-3-oxopropanamide Traditional Name: (2S)-2-cyano-N-(2-fluoro-5-methyl-phenyl)-3-keto-3-(2-nitrophenyl)propionamide Formula: C17H12FN3O4 MolecularWeight: 341.293283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12FN3O4/c1-10-6-7-13(18)14(8-10)20-17(23)12(9-19)16(22)11-4-2-3-5-15(11)21(24)25/h2-8,12H,1H3,(H,20,23)/t12-/m0/s1