4-(cyanomethyl)-2-methyl-1,3-bis(oxidanylidene)isoquinoline-4-carboxylic acid

Systemtic Name: 4-(cyanomethyl)-2-methyl-1,3-bis(oxidanylidene)isoquinoline-4-carboxylic acid Openeye Name: 4-(cyanomethyl)-2-methyl-1,3-dioxo-isoquinoline-4-carboxylic acid CAS Name: 4-(cyanomethyl)-2-methyl-1,3-dioxo-4-isoquinolinecarboxylic acid IUPAC Name: 4-(cyanomethyl)-2-methyl-1,3-dioxoisoquinoline-4-carboxylic acid Traditional Name: 4-(cyanomethyl)-1,3-diketo-2-methyl-isoquinoline-4-carboxylic acid Formula: C13H10N2O4 MolecularWeight: 258.2295

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(C1=O)(CC#N)C(=O)O

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(C1=O)(CC#N)C(=O)O

InChI

InChI=1S/C13H10N2O4/c1-15-10(16)8-4-2-3-5-9(8)13(6-7-14,11(15)17)12(18)19/h2-5H,6H2,1H3,(H,18,19)