methyl (E)-4-azanyl-3-cyano-2-[(2-fluorophenyl)carbonylamino]-2-(trifluoromethyl)pent-3-enoate

Systemtic Name: methyl (E)-4-azanyl-3-cyano-2-[(2-fluorophenyl)carbonylamino]-2-(trifluoromethyl)pent-3-enoate Openeye Name: methyl (E)-4-amino-3-cyano-2-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)pent-3-enoate CAS Name: (E)-4-amino-3-cyano-2-[[(2-fluorophenyl)-oxomethyl]amino]-2-(trifluoromethyl)-3-pentenoic acid methyl ester IUPAC Name: methyl (E)-4-amino-3-cyano-2-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)pent-3-enoate Traditional Name: (E)-4-amino-3-cyano-2-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)pent-3-enoic acid methyl ester Formula: C15H13F4N3O3 MolecularWeight: 359.275633

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(C(=O)OC)(C(F)(F)F)NC(=O)C1=CC=CC=C1F)N

Isomeric SMILES

C/C(=C(\C#N)/C(C(=O)OC)(C(F)(F)F)NC(=O)C1=CC=CC=C1F)/N

InChI

InChI=1S/C15H13F4N3O3/c1-8(21)10(7-20)14(13(24)25-2,15(17,18)19)22-12(23)9-5-3-4-6-11(9)16/h3-6H,21H2,1-2H3,(H,22,23)/b10-8-