propan-2-yl 4-[(3-bromophenyl)carbonylamino]-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 4-[(3-bromophenyl)carbonylamino]-1-ethyl-pyrazole-3-carboxylate Openeye Name: isopropyl 4-[(3-bromobenzoyl)amino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-[[(3-bromophenyl)-oxomethyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(3-bromobenzoyl)amino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[(3-bromobenzoyl)amino]-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C16H18BrN3O3 MolecularWeight: 380.23642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C16H18BrN3O3/c1-4-20-9-13(14(19-20)16(22)23-10(2)3)18-15(21)11-6-5-7-12(17)8-11/h5-10H,4H2,1-3H3,(H,18,21)