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

Systemtic Name: 6-chloranyl-4-(cyanomethyl)-2-methyl-1,3-bis(oxidanylidene)isoquinoline-4-carboxylic acid Openeye Name: 6-chloro-4-(cyanomethyl)-2-methyl-1,3-dioxo-isoquinoline-4-carboxylic acid CAS Name: 6-chloro-4-(cyanomethyl)-2-methyl-1,3-dioxo-4-isoquinolinecarboxylic acid IUPAC Name: 6-chloro-4-(cyanomethyl)-2-methyl-1,3-dioxoisoquinoline-4-carboxylic acid Traditional Name: 6-chloro-4-(cyanomethyl)-1,3-diketo-2-methyl-isoquinoline-4-carboxylic acid Formula: C13H9ClN2O4 MolecularWeight: 292.67456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9ClN2O4/c1-16-10(17)8-3-2-7(14)6-9(8)13(4-5-15,11(16)18)12(19)20/h2-3,6H,4H2,1H3,(H,19,20)