[2-oxidanylidene-2-[[2-propoxy-5-(trifluoromethyl)phenyl]amino]ethyl] 6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[2-propoxy-5-(trifluoromethyl)phenyl]amino]ethyl] 6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxylate Openeye Name: [2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate CAS Name: 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylic acid [2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate Traditional Name: 6-keto-4,5-dihydro-1H-pyridazine-3-carboxylic acid [2-keto-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] ester Formula: C17H18F3N3O5 MolecularWeight: 401.33713

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)COC(=O)C2=NNC(=O)CC2

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)COC(=O)C2=NNC(=O)CC2

InChI

InChI=1S/C17H18F3N3O5/c1-2-7-27-13-5-3-10(17(18,19)20)8-12(13)21-15(25)9-28-16(26)11-4-6-14(24)23-22-11/h3,5,8H,2,4,6-7,9H2,1H3,(H,21,25)(H,23,24)