ethyl 5-azanyl-1-[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-[chloro(difluoro)methoxy]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[chloro(difluoro)methoxy]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-[chloro(difluoro)methoxy]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[chloro(difluoro)methoxy]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C13H12ClF2N3O3 MolecularWeight: 331.702486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)OC(F)(F)Cl)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)OC(F)(F)Cl)N

InChI

InChI=1S/C13H12ClF2N3O3/c1-2-21-12(20)10-7-18-19(11(10)17)8-3-5-9(6-4-8)22-13(14,15)16/h3-7H,2,17H2,1H3