2-[(6-oxidanylidene-1H-pyridin-3-yl)carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[(6-oxidanylidene-1H-pyridin-3-yl)carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(6-oxo-1H-pyridine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[oxo-(6-oxo-1H-pyridin-3-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(6-oxo-1H-pyridine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(6-keto-1H-pyridine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C16H14N2O4 MolecularWeight: 298.29336

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=CNC(=O)C=C3)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)C3=CNC(=O)C=C3)C(=O)O

InChI

InChI=1S/C16H14N2O4/c19-14-6-5-11(8-17-14)15(20)18-9-12-4-2-1-3-10(12)7-13(18)16(21)22/h1-6,8,13H,7,9H2,(H,17,19)(H,21,22)