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

Systemtic Name: N-[(3S)-4-cyano-5-methyl-2-oxidanylidene-3-(trifluoromethyl)-1H-pyrrol-3-yl]-2,4-dimethoxy-benzamide Openeye Name: N-[(3S)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]-2,4-dimethoxy-benzamide CAS Name: N-[(3S)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]-2,4-dimethoxybenzamide IUPAC Name: N-[(3S)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]-2,4-dimethoxybenzamide Traditional Name: N-[(3S)-4-cyano-2-keto-5-methyl-3-(trifluoromethyl)-2-pyrrolin-3-yl]-2,4-dimethoxy-benzamide Formula: C16H14F3N3O4 MolecularWeight: 369.29527

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)N1)(C(F)(F)F)NC(=O)C2=C(C=C(C=C2)OC)OC)C#N

Isomeric SMILES

CC1=C([C@](C(=O)N1)(C(F)(F)F)NC(=O)C2=C(C=C(C=C2)OC)OC)C#N

InChI

InChI=1S/C16H14F3N3O4/c1-8-11(7-20)15(14(24)21-8,16(17,18)19)22-13(23)10-5-4-9(25-2)6-12(10)26-3/h4-6H,1-3H3,(H,21,24)(H,22,23)/t15-/m0/s1