(E)-4-cyano-4-[(2-cyano-5-oxidanyl-5-oxidanylidene-pentan-2-yl)diazenyl]-7-phenyl-hept-6-enoic acid

Systemtic Name: (E)-4-cyano-4-[(2-cyano-5-oxidanyl-5-oxidanylidene-pentan-2-yl)diazenyl]-7-phenyl-hept-6-enoic acid Openeye Name: (E)-4-cyano-4-(1-cyano-4-hydroxy-1-methyl-4-oxo-butyl)azo-7-phenyl-hept-6-enoic acid CAS Name: (E)-4-cyano-4-(2-cyano-5-hydroxy-5-oxopentan-2-yl)azo-7-phenyl-6-heptenoic acid IUPAC Name: (E)-4-cyano-4-[(2-cyano-5-hydroxy-5-oxopentan-2-yl)diazenyl]-7-phenylhept-6-enoic acid Traditional Name: (E)-4-cyano-4-(1-cyano-4-hydroxy-4-keto-1-methyl-butyl)azo-7-phenyl-hept-6-enoic acid Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)O)(C#N)N=NC(CCC(=O)O)(CC=CC1=CC=CC=C1)C#N

Isomeric SMILES

CC(CCC(=O)O)(C#N)N=NC(CCC(=O)O)(C/C=C/C1=CC=CC=C1)C#N

InChI

InChI=1S/C20H22N4O4/c1-19(14-21,12-9-17(25)26)23-24-20(15-22,13-10-18(27)28)11-5-8-16-6-3-2-4-7-16/h2-8H,9-13H2,1H3,(H,25,26)(H,27,28)/b8-5+,24-23?