3-[4-(2-carboxyethyl)-3,6-bis(dicyanomethylidene)cyclohexa-1,4-dien-1-yl]propanoic acid

Systemtic Name: 3-[4-(2-carboxyethyl)-3,6-bis(dicyanomethylidene)cyclohexa-1,4-dien-1-yl]propanoic acid Openeye Name: 3-[4-(2-carboxyethyl)-3,6-bis(dicyanomethylene)cyclohexa-1,4-dien-1-yl]propanoic acid CAS Name: 3-[4-(2-carboxyethyl)-3,6-bis(dicyanomethylidene)-1-cyclohexa-1,4-dienyl]propanoic acid IUPAC Name: 3-[4-(2-carboxyethyl)-3,6-bis(dicyanomethylidene)cyclohexa-1,4-dien-1-yl]propanoic acid Traditional Name: 3-[4-(2-carboxyethyl)-3,6-bis(dicyanomethylene)cyclohexa-1,4-dien-1-yl]propionic acid Formula: C18H12N4O4 MolecularWeight: 348.31228

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C#N)C#N)C=C(C1=C(C#N)C#N)CCC(=O)O)CCC(=O)O

Isomeric SMILES

C1=C(C(=C(C#N)C#N)C=C(C1=C(C#N)C#N)CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C18H12N4O4/c19-7-13(8-20)15-6-12(2-4-18(25)26)16(14(9-21)10-22)5-11(15)1-3-17(23)24/h5-6H,1-4H2,(H,23,24)(H,25,26)