but-2-ynyl 5-aminocarbonyl-1-(3-bromanyl-5-chloranyl-phenyl)pyrazole-4-carboxylate

Systemtic Name: but-2-ynyl 5-aminocarbonyl-1-(3-bromanyl-5-chloranyl-phenyl)pyrazole-4-carboxylate Openeye Name: but-2-ynyl 1-(3-bromo-5-chloro-phenyl)-5-carbamoyl-pyrazole-4-carboxylate CAS Name: 1-(3-bromo-5-chlorophenyl)-5-carbamoyl-4-pyrazolecarboxylic acid but-2-ynyl ester IUPAC Name: but-2-ynyl 1-(3-bromo-5-chlorophenyl)-5-carbamoylpyrazole-4-carboxylate Traditional Name: 1-(3-bromo-5-chloro-phenyl)-5-carbamoyl-pyrazole-4-carboxylic acid but-2-ynyl ester Formula: C15H11BrClN3O3 MolecularWeight: 396.62314

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC(=O)C1=C(N(N=C1)C2=CC(=CC(=C2)Br)Cl)C(=O)N

Isomeric SMILES

CC#CCOC(=O)C1=C(N(N=C1)C2=CC(=CC(=C2)Br)Cl)C(=O)N

InChI

InChI=1S/C15H11BrClN3O3/c1-2-3-4-23-15(22)12-8-19-20(13(12)14(18)21)11-6-9(16)5-10(17)7-11/h5-8H,4H2,1H3,(H2,18,21)