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

Systemtic Name: [2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-[(2-chlorophenyl)methylamino]-2-oxo-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-[(2-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C19H15BrClN3O3 MolecularWeight: 448.6977

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br)Cl

InChI

InChI=1S/C19H15BrClN3O3/c20-14-7-5-12(6-8-14)16-9-17(24-23-16)19(26)27-11-18(25)22-10-13-3-1-2-4-15(13)21/h1-9H,10-11H2,(H,22,25)(H,23,24)