[2-[[4-[bis(fluoranyl)methoxy]-3-chloranyl-phenyl]amino]-2-oxidanylidene-ethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: [2-[[4-[bis(fluoranyl)methoxy]-3-chloranyl-phenyl]amino]-2-oxidanylidene-ethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxo-ethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid [2-[3-chloro-4-(difluoromethoxy)anilino]-2-keto-ethyl] ester Formula: C17H14ClF2N5O4 MolecularWeight: 425.773966

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NC2=NC=NN12)C(=O)OCC(=O)NC3=CC(=C(C=C3)OC(F)F)Cl

Isomeric SMILES

CCC1=C(C=NC2=NC=NN12)C(=O)OCC(=O)NC3=CC(=C(C=C3)OC(F)F)Cl

InChI

InChI=1S/C17H14ClF2N5O4/c1-2-12-10(6-21-17-22-8-23-25(12)17)15(27)28-7-14(26)24-9-3-4-13(11(18)5-9)29-16(19)20/h3-6,8,16H,2,7H2,1H3,(H,24,26)