4-[(2E)-2-[1-[(4-carboxyphenyl)diazenyl]-4-methyl-2-oxidanylidene-pentylidene]hydrazinyl]benzoic acid

Systemtic Name: 4-[(2E)-2-[1-[(4-carboxyphenyl)diazenyl]-4-methyl-2-oxidanylidene-pentylidene]hydrazinyl]benzoic acid Openeye Name: 4-[(2E)-2-[1-(4-carboxyphenyl)azo-4-methyl-2-oxo-pentylidene]hydrazino]benzoic acid CAS Name: 4-[(2E)-2-[1-(4-carboxyphenyl)azo-4-methyl-2-oxopentylidene]hydrazinyl]benzoic acid IUPAC Name: 4-[(2E)-2-[1-[(4-carboxyphenyl)diazenyl]-4-methyl-2-oxopentylidene]hydrazinyl]benzoic acid Traditional Name: 4-[(N'E)-N'-[1-(4-carboxyphenyl)azo-2-keto-4-methyl-pentylidene]hydrazino]benzoic acid Formula: C20H20N4O5 MolecularWeight: 396.3966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C(=NNC1=CC=C(C=C1)C(=O)O)N=NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)CC(=O)/C(=N\NC1=CC=C(C=C1)C(=O)O)/N=NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C20H20N4O5/c1-12(2)11-17(25)18(23-21-15-7-3-13(4-8-15)19(26)27)24-22-16-9-5-14(6-10-16)20(28)29/h3-10,12,21H,11H2,1-2H3,(H,26,27)(H,28,29)/b23-18+,24-22?