3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)propyl 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid 3-(1,3-dioxo-2-isoindolyl)propyl ester IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)propyl 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid 3-phthalimidopropyl ester Formula: C16H13BrN2O4 MolecularWeight: 377.18942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCOC(=O)C3=CC(=CN3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCOC(=O)C3=CC(=CN3)Br

InChI

InChI=1S/C16H13BrN2O4/c17-10-8-13(18-9-10)16(22)23-7-3-6-19-14(20)11-4-1-2-5-12(11)15(19)21/h1-2,4-5,8-9,18H,3,6-7H2