[2-azanylidene-2-[3-morpholin-4-yl-5-(trifluoromethyl)pyridin-2-yl]ethyl] 4-chloranylbenzoate

Systemtic Name: [2-azanylidene-2-[3-morpholin-4-yl-5-(trifluoromethyl)pyridin-2-yl]ethyl] 4-chloranylbenzoate Openeye Name: [2-imino-2-[3-morpholino-5-(trifluoromethyl)-2-pyridyl]ethyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [2-imino-2-[3-(4-morpholinyl)-5-(trifluoromethyl)-2-pyridinyl]ethyl] ester IUPAC Name: [2-imino-2-[3-morpholin-4-yl-5-(trifluoromethyl)pyridin-2-yl]ethyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [2-imino-2-[3-morpholino-5-(trifluoromethyl)-2-pyridyl]ethyl] ester Formula: C19H17ClF3N3O3 MolecularWeight: 427.80479

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(N=CC(=C2)C(F)(F)F)C(=N)COC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1COCCN1C2=C(N=CC(=C2)C(F)(F)F)C(=N)COC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H17ClF3N3O3/c20-14-3-1-12(2-4-14)18(27)29-11-15(24)17-16(26-5-7-28-8-6-26)9-13(10-25-17)19(21,22)23/h1-4,9-10,24H,5-8,11H2