ethyl 5-azanyl-1-[2-(4-chloranyl-2,5-dimethyl-phenoxy)ethanoyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[2-(4-chloranyl-2,5-dimethyl-phenoxy)ethanoyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[2-(4-chloro-2,5-dimethyl-phenoxy)acetyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[2-(4-chloro-2,5-dimethylphenoxy)-1-oxoethyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[2-(4-chloro-2,5-dimethylphenoxy)acetyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[2-(4-chloro-2,5-dimethyl-phenoxy)acetyl]pyrazole-4-carboxylic acid ethyl ester Formula: C16H18ClN3O4 MolecularWeight: 351.78482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C(=O)COC2=C(C=C(C(=C2)C)Cl)C)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C(=O)COC2=C(C=C(C(=C2)C)Cl)C)N

InChI

InChI=1S/C16H18ClN3O4/c1-4-23-16(22)11-7-19-20(15(11)18)14(21)8-24-13-6-9(2)12(17)5-10(13)3/h5-7H,4,8,18H2,1-3H3