but-3-yn-2-yl 5-aminocarbonyl-1-(3-bromanyl-5-methyl-phenyl)pyrazole-4-carboxylate

Systemtic Name: but-3-yn-2-yl 5-aminocarbonyl-1-(3-bromanyl-5-methyl-phenyl)pyrazole-4-carboxylate Openeye Name: 1-methylprop-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 but-3-yn-2-yl ester IUPAC Name: but-3-yn-2-yl 1-(3-bromo-5-methylphenyl)-5-carbamoylpyrazole-4-carboxylate Traditional Name: 1-(3-bromo-5-methyl-phenyl)-5-carbamoyl-pyrazole-4-carboxylic acid 1-methylprop-2-ynyl ester Formula: C16H14BrN3O3 MolecularWeight: 376.20466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrN3O3/c1-4-10(3)23-16(22)13-8-19-20(14(13)15(18)21)12-6-9(2)5-11(17)7-12/h1,5-8,10H,2-3H3,(H2,18,21)