dimethyl (E)-2-(5-bromanyl-2,3-dihydroindol-1-yl)but-2-enedioate

Systemtic Name: dimethyl (E)-2-(5-bromanyl-2,3-dihydroindol-1-yl)but-2-enedioate Openeye Name: dimethyl (E)-2-(5-bromoindolin-1-yl)but-2-enedioate CAS Name: (E)-2-(5-bromo-2,3-dihydroindol-1-yl)-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-(5-bromo-2,3-dihydroindol-1-yl)but-2-enedioate Traditional Name: (E)-2-(5-bromoindolin-1-yl)but-2-enedioic acid dimethyl ester Formula: C14H14BrNO4 MolecularWeight: 340.16926

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C(=O)OC)N1CCC2=C1C=CC(=C2)Br

Isomeric SMILES

COC(=O)/C=C(\C(=O)OC)/N1CCC2=C1C=CC(=C2)Br

InChI

InChI=1S/C14H14BrNO4/c1-19-13(17)8-12(14(18)20-2)16-6-5-9-7-10(15)3-4-11(9)16/h3-4,7-8H,5-6H2,1-2H3/b12-8+