3-oxidanylidene-2-prop-2-enyl-1-prop-2-ynyl-isoindole-1-carboxylic acid

Systemtic Name: 3-oxidanylidene-2-prop-2-enyl-1-prop-2-ynyl-isoindole-1-carboxylic acid Openeye Name: 2-allyl-3-oxo-1-prop-2-ynyl-isoindoline-1-carboxylic acid CAS Name: 3-oxo-2-prop-2-enyl-1-prop-2-ynyl-1-isoindolecarboxylic acid IUPAC Name: 3-oxo-2-prop-2-enyl-1-prop-2-ynylisoindole-1-carboxylic acid Traditional Name: 2-allyl-3-keto-1-propargyl-isoindoline-1-carboxylic acid Formula: C15H13NO3 MolecularWeight: 255.26862

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2C1(CC#C)C(=O)O

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2C1(CC#C)C(=O)O

InChI

InChI=1S/C15H13NO3/c1-3-9-15(14(18)19)12-8-6-5-7-11(12)13(17)16(15)10-4-2/h1,4-8H,2,9-10H2,(H,18,19)