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

Systemtic Name: [2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(2,5-dimethoxyanilino)-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-(2,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-(2,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C15H15BrN2O5 MolecularWeight: 383.194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=CC(=CN2)Br

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C15H15BrN2O5/c1-21-10-3-4-13(22-2)11(6-10)18-14(19)8-23-15(20)12-5-9(16)7-17-12/h3-7,17H,8H2,1-2H3,(H,18,19)