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

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C14H13BrN2O3 MolecularWeight: 337.16862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=CN2)Br

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C14H13BrN2O3/c1-9-2-4-11(5-3-9)17-13(18)8-20-14(19)12-6-10(15)7-16-12/h2-7,16H,8H2,1H3,(H,17,18)