methyl 3-azanyl-1-(5-bromanyl-2-chloranyl-phenyl)carbonyl-pyrazole-4-carboxylate

Systemtic Name: methyl 3-azanyl-1-(5-bromanyl-2-chloranyl-phenyl)carbonyl-pyrazole-4-carboxylate Openeye Name: methyl 3-amino-1-(5-bromo-2-chloro-benzoyl)pyrazole-4-carboxylate CAS Name: 3-amino-1-[(5-bromo-2-chlorophenyl)-oxomethyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-1-(5-bromo-2-chlorobenzoyl)pyrazole-4-carboxylate Traditional Name: 3-amino-1-(5-bromo-2-chloro-benzoyl)pyrazole-4-carboxylic acid methyl ester Formula: C12H9BrClN3O3 MolecularWeight: 358.57516

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(N=C1N)C(=O)C2=C(C=CC(=C2)Br)Cl

Isomeric SMILES

COC(=O)C1=CN(N=C1N)C(=O)C2=C(C=CC(=C2)Br)Cl

InChI

InChI=1S/C12H9BrClN3O3/c1-20-12(19)8-5-17(16-10(8)15)11(18)7-4-6(13)2-3-9(7)14/h2-5H,1H3,(H2,15,16)