methyl 3-[(4-bromophenyl)methyl]-1-(2-ethoxy-2-oxidanylidene-ethyl)-5-methyl-pyrazole-4-carboxylate

Systemtic Name: methyl 3-[(4-bromophenyl)methyl]-1-(2-ethoxy-2-oxidanylidene-ethyl)-5-methyl-pyrazole-4-carboxylate Openeye Name: methyl 3-[(4-bromophenyl)methyl]-1-(2-ethoxy-2-oxo-ethyl)-5-methyl-pyrazole-4-carboxylate CAS Name: 3-[(4-bromophenyl)methyl]-1-(2-ethoxy-2-oxoethyl)-5-methyl-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-bromophenyl)methyl]-1-(2-ethoxy-2-oxoethyl)-5-methylpyrazole-4-carboxylate Traditional Name: 3-(4-bromobenzyl)-1-(2-ethoxy-2-keto-ethyl)-5-methyl-pyrazole-4-carboxylic acid methyl ester Formula: C17H19BrN2O4 MolecularWeight: 395.24776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=C(C(=N1)CC2=CC=C(C=C2)Br)C(=O)OC)C

Isomeric SMILES

CCOC(=O)CN1C(=C(C(=N1)CC2=CC=C(C=C2)Br)C(=O)OC)C

InChI

InChI=1S/C17H19BrN2O4/c1-4-24-15(21)10-20-11(2)16(17(22)23-3)14(19-20)9-12-5-7-13(18)8-6-12/h5-8H,4,9-10H2,1-3H3