[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(4-ethoxyanilino)-2-oxo-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-(4-ethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyanilino)-2-oxoethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-keto-2-(p-phenetidino)ethyl] ester Formula: C20H18BrN3O4 MolecularWeight: 444.27862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H18BrN3O4/c1-2-27-16-9-7-15(8-10-16)22-19(25)12-28-20(26)18-11-17(23-24-18)13-3-5-14(21)6-4-13/h3-11H,2,12H2,1H3,(H,22,25)(H,23,24)