[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-keto-2-(p-anisylamino)ethyl] ester Formula: C15H15BrN2O4 MolecularWeight: 367.1946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15BrN2O4/c1-21-12-4-2-10(3-5-12)7-18-14(19)9-22-15(20)13-6-11(16)8-17-13/h2-6,8,17H,7,9H2,1H3,(H,18,19)