prop-2-ynyl 5-aminocarbonyl-1-(3-bromanyl-5-methyl-phenyl)pyrazole-4-carboxylate

Systemtic Name: prop-2-ynyl 5-aminocarbonyl-1-(3-bromanyl-5-methyl-phenyl)pyrazole-4-carboxylate Openeye Name: prop-2-ynyl 1-(3-bromo-5-methyl-phenyl)-5-carbamoyl-pyrazole-4-carboxylate CAS Name: 1-(3-bromo-5-methylphenyl)-5-carbamoyl-4-pyrazolecarboxylic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 1-(3-bromo-5-methylphenyl)-5-carbamoylpyrazole-4-carboxylate Traditional Name: 1-(3-bromo-5-methyl-phenyl)-5-carbamoyl-pyrazole-4-carboxylic acid propargyl ester Formula: C15H12BrN3O3 MolecularWeight: 362.17808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)Br)N2C(=C(C=N2)C(=O)OCC#C)C(=O)N

Isomeric SMILES

CC1=CC(=CC(=C1)Br)N2C(=C(C=N2)C(=O)OCC#C)C(=O)N

InChI

InChI=1S/C15H12BrN3O3/c1-3-4-22-15(21)12-8-18-19(13(12)14(17)20)11-6-9(2)5-10(16)7-11/h1,5-8H,4H2,2H3,(H2,17,20)