(E)-2-[(4-bromanyl-2-methyl-phenyl)amino]-5,5-dimethyl-4-oxidanylidene-hex-2-enoic acid

Systemtic Name: (E)-2-[(4-bromanyl-2-methyl-phenyl)amino]-5,5-dimethyl-4-oxidanylidene-hex-2-enoic acid Openeye Name: (E)-2-(4-bromo-2-methyl-anilino)-5,5-dimethyl-4-oxo-hex-2-enoic acid CAS Name: (E)-2-(4-bromo-2-methylanilino)-5,5-dimethyl-4-oxo-2-hexenoic acid IUPAC Name: (E)-2-(4-bromo-2-methylanilino)-5,5-dimethyl-4-oxohex-2-enoic acid Traditional Name: (E)-2-(4-bromo-2-methyl-anilino)-4-keto-5,5-dimethyl-hex-2-enoic acid Formula: C15H18BrNO3 MolecularWeight: 340.21232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=CC(=O)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)N/C(=C/C(=O)C(C)(C)C)/C(=O)O

InChI

InChI=1S/C15H18BrNO3/c1-9-7-10(16)5-6-11(9)17-12(14(19)20)8-13(18)15(2,3)4/h5-8,17H,1-4H3,(H,19,20)/b12-8+