[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-(4-bromo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C20H18BrN3O3 MolecularWeight: 428.27922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN3O3/c1-13-10-15(21)8-9-18(13)23-19(25)12-27-20(26)17-11-22-24(14(17)2)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H,23,25)