[(2E)-2-azanyl-2-pyrrol-3-ylidene-ethyl] 4-(trifluoromethyl)benzoate

Systemtic Name: [(2E)-2-azanyl-2-pyrrol-3-ylidene-ethyl] 4-(trifluoromethyl)benzoate Openeye Name: [(2E)-2-amino-2-pyrrol-3-ylidene-ethyl] 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid [(2E)-2-amino-2-(3-pyrrolylidene)ethyl] ester IUPAC Name: [(2E)-2-amino-2-pyrrol-3-ylideneethyl] 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid [(2E)-2-amino-2-pyrrol-3-ylidene-ethyl] ester Formula: C14H11F3N2O2 MolecularWeight: 296.24455

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=C2C=CN=C2)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC/C(=C\2/C=CN=C2)/N)C(F)(F)F

InChI

InChI=1S/C14H11F3N2O2/c15-14(16,17)11-3-1-9(2-4-11)13(20)21-8-12(18)10-5-6-19-7-10/h1-7H,8,18H2/b12-10+