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

Systemtic Name: [2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C17H12BrClN4O3 MolecularWeight: 435.65918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NNC(=C2)C(=O)OCC(=O)NC3=NC=C(C=C3)Cl)Br

Isomeric SMILES

C1=CC(=CC=C1C2=NNC(=C2)C(=O)OCC(=O)NC3=NC=C(C=C3)Cl)Br

InChI

InChI=1S/C17H12BrClN4O3/c18-11-3-1-10(2-4-11)13-7-14(23-22-13)17(25)26-9-16(24)21-15-6-5-12(19)8-20-15/h1-8H,9H2,(H,22,23)(H,20,21,24)