diethyl 2-[[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]carbonylamino]propanedioate

Systemtic Name: diethyl 2-[[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]carbonylamino]propanedioate Openeye Name: diethyl 2-[[1-(4-bromophenyl)-5-methyl-pyrazole-4-carbonyl]amino]propanedioate CAS Name: 2-[[[1-(4-bromophenyl)-5-methyl-4-pyrazolyl]-oxomethyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[1-(4-bromophenyl)-5-methylpyrazole-4-carbonyl]amino]propanedioate Traditional Name: 2-[[1-(4-bromophenyl)-5-methyl-pyrazole-4-carbonyl]amino]malonic acid diethyl ester Formula: C18H20BrN3O5 MolecularWeight: 438.2725

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)NC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)Br)C

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)NC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)Br)C

InChI

InChI=1S/C18H20BrN3O5/c1-4-26-17(24)15(18(25)27-5-2)21-16(23)14-10-20-22(11(14)3)13-8-6-12(19)7-9-13/h6-10,15H,4-5H2,1-3H3,(H,21,23)