1-oxidanylidene-2-prop-2-enyl-isoquinoline-3-carboxylic acid

Systemtic Name: 1-oxidanylidene-2-prop-2-enyl-isoquinoline-3-carboxylic acid Openeye Name: 2-allyl-1-oxo-isoquinoline-3-carboxylic acid CAS Name: 1-oxo-2-prop-2-enyl-3-isoquinolinecarboxylic acid IUPAC Name: 1-oxo-2-prop-2-enylisoquinoline-3-carboxylic acid Traditional Name: 2-allyl-1-keto-isoquinoline-3-carboxylic acid Formula: C13H11NO3 MolecularWeight: 229.23134

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=CC2=CC=CC=C2C1=O)C(=O)O

Isomeric SMILES

C=CCN1C(=CC2=CC=CC=C2C1=O)C(=O)O

InChI

InChI=1S/C13H11NO3/c1-2-7-14-11(13(16)17)8-9-5-3-4-6-10(9)12(14)15/h2-6,8H,1,7H2,(H,16,17)