5-(2-carboxyethyl)-8-oxidanylidene-6,7-dihydroisoquinoline-5-carboxylic acid

Systemtic Name: 5-(2-carboxyethyl)-8-oxidanylidene-6,7-dihydroisoquinoline-5-carboxylic acid Openeye Name: 5-(2-carboxyethyl)-8-oxo-6,7-dihydroisoquinoline-5-carboxylic acid CAS Name: 5-(2-carboxyethyl)-8-oxo-6,7-dihydroisoquinoline-5-carboxylic acid IUPAC Name: 5-(2-carboxyethyl)-8-oxo-6,7-dihydroisoquinoline-5-carboxylic acid Traditional Name: 5-(2-carboxyethyl)-8-keto-6,7-dihydroisoquinoline-5-carboxylic acid Formula: C13H13NO5 MolecularWeight: 263.24602

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1=O)C=NC=C2)(CCC(=O)O)C(=O)O

Isomeric SMILES

C1CC(C2=C(C1=O)C=NC=C2)(CCC(=O)O)C(=O)O

InChI

InChI=1S/C13H13NO5/c15-10-1-4-13(12(18)19,5-2-11(16)17)9-3-6-14-7-8(9)10/h3,6-7H,1-2,4-5H2,(H,16,17)(H,18,19)