methyl 5-azanyl-1-(2-bromophenyl)carbonyl-pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-(2-bromophenyl)carbonyl-pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-(2-bromobenzoyl)pyrazole-4-carboxylate CAS Name: 5-amino-1-[(2-bromophenyl)-oxomethyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-(2-bromobenzoyl)pyrazole-4-carboxylate Traditional Name: 5-amino-1-(2-bromobenzoyl)pyrazole-4-carboxylic acid methyl ester Formula: C12H10BrN3O3 MolecularWeight: 324.1301

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1)C(=O)C2=CC=CC=C2Br)N

Isomeric SMILES

COC(=O)C1=C(N(N=C1)C(=O)C2=CC=CC=C2Br)N

InChI

InChI=1S/C12H10BrN3O3/c1-19-12(18)8-6-15-16(10(8)14)11(17)7-4-2-3-5-9(7)13/h2-6H,14H2,1H3