dimethyl (Z)-3-[(phenylmethyl)amino]-2-[2,2,2-tris(fluoranyl)ethanoyl]pent-2-enedioate

Systemtic Name: dimethyl (Z)-3-[(phenylmethyl)amino]-2-[2,2,2-tris(fluoranyl)ethanoyl]pent-2-enedioate Openeye Name: dimethyl (Z)-3-(benzylamino)-2-(2,2,2-trifluoroacetyl)pent-2-enedioate CAS Name: (Z)-3-[(phenylmethyl)amino]-2-(2,2,2-trifluoro-1-oxoethyl)-2-pentenedioic acid dimethyl ester IUPAC Name: dimethyl (Z)-3-(benzylamino)-2-(2,2,2-trifluoroacetyl)pent-2-enedioate Traditional Name: (Z)-3-(benzylamino)-2-(2,2,2-trifluoroacetyl)pent-2-enedioic acid dimethyl ester Formula: C16H16F3NO5 MolecularWeight: 359.29715

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=C(C(=O)C(F)(F)F)C(=O)OC)NCC1=CC=CC=C1

Isomeric SMILES

COC(=O)C/C(=C(\C(=O)C(F)(F)F)/C(=O)OC)/NCC1=CC=CC=C1

InChI

InChI=1S/C16H16F3NO5/c1-24-12(21)8-11(20-9-10-6-4-3-5-7-10)13(15(23)25-2)14(22)16(17,18)19/h3-7,20H,8-9H2,1-2H3/b13-11-