butyl 2-(5-bromanyl-3-oxidanyl-2-oxidanylidene-1-prop-2-ynyl-indol-3-yl)prop-2-enoate

Systemtic Name: butyl 2-(5-bromanyl-3-oxidanyl-2-oxidanylidene-1-prop-2-ynyl-indol-3-yl)prop-2-enoate Openeye Name: butyl 2-(5-bromo-3-hydroxy-2-oxo-1-prop-2-ynyl-indolin-3-yl)prop-2-enoate CAS Name: 2-(5-bromo-3-hydroxy-2-oxo-1-prop-2-ynyl-3-indolyl)-2-propenoic acid butyl ester IUPAC Name: butyl 2-(5-bromo-3-hydroxy-2-oxo-1-prop-2-ynylindol-3-yl)prop-2-enoate Traditional Name: 2-(5-bromo-3-hydroxy-2-keto-1-propargyl-indolin-3-yl)acrylic acid butyl ester Formula: C18H18BrNO4 MolecularWeight: 392.24382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=C)C1(C2=C(C=CC(=C2)Br)N(C1=O)CC#C)O

Isomeric SMILES

CCCCOC(=O)C(=C)C1(C2=C(C=CC(=C2)Br)N(C1=O)CC#C)O

InChI

InChI=1S/C18H18BrNO4/c1-4-6-10-24-16(21)12(3)18(23)14-11-13(19)7-8-15(14)20(9-5-2)17(18)22/h2,7-8,11,23H,3-4,6,9-10H2,1H3