methyl (E)-3-[4-bromanyl-1-(3-methoxy-3-oxidanylidene-prop-1-ynyl)-1H-isoquinolin-2-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[4-bromanyl-1-(3-methoxy-3-oxidanylidene-prop-1-ynyl)-1H-isoquinolin-2-yl]prop-2-enoate Openeye Name: methyl (E)-3-[4-bromo-1-(3-methoxy-3-oxo-prop-1-ynyl)-1H-isoquinolin-2-yl]prop-2-enoate CAS Name: (E)-3-[4-bromo-1-(3-methoxy-3-oxoprop-1-ynyl)-1H-isoquinolin-2-yl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-bromo-1-(3-methoxy-3-oxoprop-1-ynyl)-1H-isoquinolin-2-yl]prop-2-enoate Traditional Name: (E)-3-[4-bromo-1-(3-keto-3-methoxy-prop-1-ynyl)-1H-isoquinolin-2-yl]acrylic acid methyl ester Formula: C17H14BrNO4 MolecularWeight: 376.20136

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CN1C=C(C2=CC=CC=C2C1C#CC(=O)OC)Br

Isomeric SMILES

COC(=O)/C=C/N1C=C(C2=CC=CC=C2C1C#CC(=O)OC)Br

InChI

InChI=1S/C17H14BrNO4/c1-22-16(20)8-7-15-13-6-4-3-5-12(13)14(18)11-19(15)10-9-17(21)23-2/h3-6,9-11,15H,1-2H3/b10-9+