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

Systemtic Name: 4-[(2-bromanyl-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)amino]benzoic acid Openeye Name: 4-[(2-bromo-5,5-dimethyl-3-oxo-cyclohexen-1-yl)amino]benzoic acid CAS Name: 4-[(2-bromo-5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]benzoic acid IUPAC Name: 4-[(2-bromo-5,5-dimethyl-3-oxocyclohexen-1-yl)amino]benzoic acid Traditional Name: 4-[(2-bromo-3-keto-5,5-dimethyl-cyclohexen-1-yl)amino]benzoic acid Formula: C15H16BrNO3 MolecularWeight: 338.19644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrNO3/c1-15(2)7-11(13(16)12(18)8-15)17-10-5-3-9(4-6-10)14(19)20/h3-6,17H,7-8H2,1-2H3,(H,19,20)