[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C12H9BrClN3O3 MolecularWeight: 358.57516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1Cl)NC(=O)COC(=O)C2=CC(=CN2)Br

Isomeric SMILES

C1=CC(=NC=C1Cl)NC(=O)COC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C12H9BrClN3O3/c13-7-3-9(15-4-7)12(19)20-6-11(18)17-10-2-1-8(14)5-16-10/h1-5,15H,6H2,(H,16,17,18)