3-[3,6-bis(dicyanomethylidene)-4-(2-methyl-3-oxidanyl-3-oxidanylidene-propyl)cyclohexa-1,4-dien-1-yl]-2-methyl-propanoic acid

Systemtic Name: 3-[3,6-bis(dicyanomethylidene)-4-(2-methyl-3-oxidanyl-3-oxidanylidene-propyl)cyclohexa-1,4-dien-1-yl]-2-methyl-propanoic acid Openeye Name: 3-[3,6-bis(dicyanomethylene)-4-(3-hydroxy-2-methyl-3-oxo-propyl)cyclohexa-1,4-dien-1-yl]-2-methyl-propanoic acid CAS Name: 3-[3,6-bis(dicyanomethylidene)-4-(3-hydroxy-2-methyl-3-oxopropyl)-1-cyclohexa-1,4-dienyl]-2-methylpropanoic acid IUPAC Name: 3-[3,6-bis(dicyanomethylidene)-4-(3-hydroxy-2-methyl-3-oxopropyl)cyclohexa-1,4-dien-1-yl]-2-methylpropanoic acid Traditional Name: 3-[3,6-bis(dicyanomethylene)-4-(3-hydroxy-3-keto-2-methyl-propyl)cyclohexa-1,4-dien-1-yl]-2-methyl-propionic acid Formula: C20H16N4O4 MolecularWeight: 376.36544

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C#N)C#N)C(=CC1=C(C#N)C#N)CC(C)C(=O)O)C(=O)O

Isomeric SMILES

CC(CC1=CC(=C(C#N)C#N)C(=CC1=C(C#N)C#N)CC(C)C(=O)O)C(=O)O

InChI

InChI=1S/C20H16N4O4/c1-11(19(25)26)3-13-5-18(16(9-23)10-24)14(4-12(2)20(27)28)6-17(13)15(7-21)8-22/h5-6,11-12H,3-4H2,1-2H3,(H,25,26)(H,27,28)