tert-butyl 5-aminocarbonyl-1-(3-chloranyl-5-methyl-phenyl)pyrazole-4-carboxylate

Systemtic Name: tert-butyl 5-aminocarbonyl-1-(3-chloranyl-5-methyl-phenyl)pyrazole-4-carboxylate Openeye Name: tert-butyl 5-carbamoyl-1-(3-chloro-5-methyl-phenyl)pyrazole-4-carboxylate CAS Name: 5-carbamoyl-1-(3-chloro-5-methylphenyl)-4-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-carbamoyl-1-(3-chloro-5-methylphenyl)pyrazole-4-carboxylate Traditional Name: 5-carbamoyl-1-(3-chloro-5-methyl-phenyl)pyrazole-4-carboxylic acid tert-butyl ester Formula: C16H18ClN3O3 MolecularWeight: 335.78542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)Cl)N2C(=C(C=N2)C(=O)OC(C)(C)C)C(=O)N

Isomeric SMILES

CC1=CC(=CC(=C1)Cl)N2C(=C(C=N2)C(=O)OC(C)(C)C)C(=O)N

InChI

InChI=1S/C16H18ClN3O3/c1-9-5-10(17)7-11(6-9)20-13(14(18)21)12(8-19-20)15(22)23-16(2,3)4/h5-8H,1-4H3,(H2,18,21)