(2E)-2-(isoquinolin-3-ylmethylidene)-3-oxidanylidene-butanoic acid

Systemtic Name: (2E)-2-(isoquinolin-3-ylmethylidene)-3-oxidanylidene-butanoic acid Openeye Name: (2E)-2-(3-isoquinolylmethylene)-3-oxo-butanoic acid CAS Name: (2E)-2-(3-isoquinolinylmethylidene)-3-oxobutanoic acid IUPAC Name: (2E)-2-(isoquinolin-3-ylmethylidene)-3-oxobutanoic acid Traditional Name: (E)-2-acetyl-3-(3-isoquinolyl)acrylic acid Formula: C14H11NO3 MolecularWeight: 241.24204

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC2=CC=CC=C2C=N1)C(=O)O

Isomeric SMILES

CC(=O)/C(=C\C1=CC2=CC=CC=C2C=N1)/C(=O)O

InChI

InChI=1S/C14H11NO3/c1-9(16)13(14(17)18)7-12-6-10-4-2-3-5-11(10)8-15-12/h2-8H,1H3,(H,17,18)/b13-7+