4-[[(E)-2-(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)ethenyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-2-(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)ethenyl]amino]benzoic acid Openeye Name: 4-[[(E)-2-(5,5-dimethyl-3-oxo-cyclohexen-1-yl)vinyl]amino]benzoic acid CAS Name: 4-[[(E)-2-(5,5-dimethyl-3-oxo-1-cyclohexenyl)ethenyl]amino]benzoic acid IUPAC Name: 4-[[(E)-2-(5,5-dimethyl-3-oxocyclohexen-1-yl)ethenyl]amino]benzoic acid Traditional Name: 4-[[(E)-2-(3-keto-5,5-dimethyl-cyclohexen-1-yl)vinyl]amino]benzoic acid Formula: C17H19NO3 MolecularWeight: 285.33766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)C=CNC2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1(CC(=CC(=O)C1)/C=C/NC2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C17H19NO3/c1-17(2)10-12(9-15(19)11-17)7-8-18-14-5-3-13(4-6-14)16(20)21/h3-9,18H,10-11H2,1-2H3,(H,20,21)/b8-7+