[2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[2-(o-tolyl)ethylamino]-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-keto-2-[2-(o-tolyl)ethylamino]ethyl] ester Formula: C16H17BrN2O3 MolecularWeight: 365.22178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)COC(=O)C2=CC(=CN2)Br

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)COC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C16H17BrN2O3/c1-11-4-2-3-5-12(11)6-7-18-15(20)10-22-16(21)14-8-13(17)9-19-14/h2-5,8-9,19H,6-7,10H2,1H3,(H,18,20)