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

Systemtic Name: [1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-keto-1-methyl-2-(p-anisylamino)ethyl] ester Formula: C16H17BrN2O4 MolecularWeight: 381.22118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=CC(=CN2)Br

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C16H17BrN2O4/c1-10(23-16(21)14-7-12(17)9-18-14)15(20)19-8-11-3-5-13(22-2)6-4-11/h3-7,9-10,18H,8H2,1-2H3,(H,19,20)