N-[(3R,4R)-4-cyano-5-methylidene-2-oxidanylidene-3-(trifluoromethyl)pyrrolidin-3-yl]-2,3,4-trimethoxy-benzamide

Systemtic Name: N-[(3R,4R)-4-cyano-5-methylidene-2-oxidanylidene-3-(trifluoromethyl)pyrrolidin-3-yl]-2,3,4-trimethoxy-benzamide Openeye Name: N-[(3R,4R)-4-cyano-5-methylene-2-oxo-3-(trifluoromethyl)pyrrolidin-3-yl]-2,3,4-trimethoxy-benzamide CAS Name: N-[(3R,4R)-4-cyano-5-methylene-2-oxo-3-(trifluoromethyl)-3-pyrrolidinyl]-2,3,4-trimethoxybenzamide IUPAC Name: N-[(3R,4R)-4-cyano-5-methylidene-2-oxo-3-(trifluoromethyl)pyrrolidin-3-yl]-2,3,4-trimethoxybenzamide Traditional Name: N-[(3R,4R)-4-cyano-2-keto-5-methylene-3-(trifluoromethyl)pyrrolidin-3-yl]-2,3,4-trimethoxy-benzamide Formula: C17H16F3N3O5 MolecularWeight: 399.32125

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)NC2(C(C(=C)NC2=O)C#N)C(F)(F)F)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)N[C@@]2([C@@H](C(=C)NC2=O)C#N)C(F)(F)F)OC)OC

InChI

InChI=1S/C17H16F3N3O5/c1-8-10(7-21)16(15(25)22-8,17(18,19)20)23-14(24)9-5-6-11(26-2)13(28-4)12(9)27-3/h5-6,10H,1H2,2-4H3,(H,22,25)(H,23,24)/t10-,16-/m1/s1