[2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C16H15BrN2O3 MolecularWeight: 363.2059

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=CN3)Br

Isomeric SMILES

C1CC1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=CN3)Br

InChI

InChI=1S/C16H15BrN2O3/c17-11-8-13(18-9-11)16(21)22-14(10-4-2-1-3-5-10)15(20)19-12-6-7-12/h1-5,8-9,12,14,18H,6-7H2,(H,19,20)