N-[(3S)-4-cyano-5-methyl-2-oxidanylidene-3-(trifluoromethyl)-1H-pyrrol-3-yl]-3-nitro-benzamide

Systemtic Name: N-[(3S)-4-cyano-5-methyl-2-oxidanylidene-3-(trifluoromethyl)-1H-pyrrol-3-yl]-3-nitro-benzamide Openeye Name: N-[(3S)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]-3-nitro-benzamide CAS Name: N-[(3S)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]-3-nitrobenzamide IUPAC Name: N-[(3S)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]-3-nitrobenzamide Traditional Name: N-[(3S)-4-cyano-2-keto-5-methyl-3-(trifluoromethyl)-2-pyrrolin-3-yl]-3-nitro-benzamide Formula: C14H9F3N4O4 MolecularWeight: 354.24087

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)N1)(C(F)(F)F)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C([C@](C(=O)N1)(C(F)(F)F)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C14H9F3N4O4/c1-7-10(6-18)13(12(23)19-7,14(15,16)17)20-11(22)8-3-2-4-9(5-8)21(24)25/h2-5H,1H3,(H,19,23)(H,20,22)/t13-/m0/s1