methyl 4-[[4-[(E)-3-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[4-[(E)-3-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-cyano-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[4-[(E)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxo-prop-1-enyl]phenoxy]methyl]benzoate CAS Name: 4-[[4-[(E)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(E)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoate Traditional Name: 4-[[4-[(E)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-keto-prop-1-enyl]phenoxy]methyl]benzoic acid methyl ester Formula: C26H18ClF3N2O4 MolecularWeight: 514.88033

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C26H18ClF3N2O4/c1-35-25(34)18-6-2-17(3-7-18)15-36-21-9-4-16(5-10-21)12-19(14-31)24(33)32-23-13-20(26(28,29)30)8-11-22(23)27/h2-13H,15H2,1H3,(H,32,33)/b19-12+