[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C20H18BrN3O3 MolecularWeight: 428.27922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CN(N=C2)CC3=CC=CC=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CN(N=C2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C20H18BrN3O3/c1-14-7-8-18(17(21)9-14)23-19(25)13-27-20(26)16-10-22-24(12-16)11-15-5-3-2-4-6-15/h2-10,12H,11,13H2,1H3,(H,23,25)