2-acetamido-1-oxidanylidene-isoquinoline-4-carboxylic acid

Systemtic Name: 2-acetamido-1-oxidanylidene-isoquinoline-4-carboxylic acid Openeye Name: 2-acetamido-1-oxo-isoquinoline-4-carboxylic acid CAS Name: 2-acetamido-1-oxo-4-isoquinolinecarboxylic acid IUPAC Name: 2-acetamido-1-oxoisoquinoline-4-carboxylic acid Traditional Name: 2-acetamido-1-keto-isoquinoline-4-carboxylic acid Formula: C12H10N2O4 MolecularWeight: 246.2188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NN1C=C(C2=CC=CC=C2C1=O)C(=O)O

Isomeric SMILES

CC(=O)NN1C=C(C2=CC=CC=C2C1=O)C(=O)O

InChI

InChI=1S/C12H10N2O4/c1-7(15)13-14-6-10(12(17)18)8-4-2-3-5-9(8)11(14)16/h2-6H,1H3,(H,13,15)(H,17,18)