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

Systemtic Name: [2-[2-(4-bromophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-[2-(4-bromobenzoyl)hydrazino]-2-oxo-ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-[[(4-bromophenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-[N'-(4-bromobenzoyl)hydrazino]-2-keto-ethyl] ester Formula: C21H18BrClN4O4 MolecularWeight: 505.74902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)NNC(=O)C2=CC=C(C=C2)Br)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)NNC(=O)C2=CC=C(C=C2)Br)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H18BrClN4O4/c1-13-18(19(23)27(26-13)11-14-5-3-2-4-6-14)21(30)31-12-17(28)24-25-20(29)15-7-9-16(22)10-8-15/h2-10H,11-12H2,1H3,(H,24,28)(H,25,29)