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

Systemtic Name: methyl 5-azanyl-1-(2-bromanyl-5-methoxy-phenyl)carbonyl-pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-(2-bromo-5-methoxy-benzoyl)pyrazole-4-carboxylate CAS Name: 5-amino-1-[(2-bromo-5-methoxyphenyl)-oxomethyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-(2-bromo-5-methoxybenzoyl)pyrazole-4-carboxylate Traditional Name: 5-amino-1-(2-bromo-5-methoxy-benzoyl)pyrazole-4-carboxylic acid methyl ester Formula: C13H12BrN3O4 MolecularWeight: 354.15608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)N2C(=C(C=N2)C(=O)OC)N

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)N2C(=C(C=N2)C(=O)OC)N

InChI

InChI=1S/C13H12BrN3O4/c1-20-7-3-4-10(14)8(5-7)12(18)17-11(15)9(6-16-17)13(19)21-2/h3-6H,15H2,1-2H3