(E)-2-[(3-bromophenyl)amino]-5,5-dimethyl-4-oxidanylidene-hex-2-enoic acid

Systemtic Name: (E)-2-[(3-bromophenyl)amino]-5,5-dimethyl-4-oxidanylidene-hex-2-enoic acid Openeye Name: (E)-2-(3-bromoanilino)-5,5-dimethyl-4-oxo-hex-2-enoic acid CAS Name: (E)-2-(3-bromoanilino)-5,5-dimethyl-4-oxo-2-hexenoic acid IUPAC Name: (E)-2-(3-bromoanilino)-5,5-dimethyl-4-oxohex-2-enoic acid Traditional Name: (E)-2-(3-bromoanilino)-4-keto-5,5-dimethyl-hex-2-enoic acid Formula: C14H16BrNO3 MolecularWeight: 326.18574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C=C(C(=O)O)NC1=CC(=CC=C1)Br

Isomeric SMILES

CC(C)(C)C(=O)/C=C(\C(=O)O)/NC1=CC(=CC=C1)Br

InChI

InChI=1S/C14H16BrNO3/c1-14(2,3)12(17)8-11(13(18)19)16-10-6-4-5-9(15)7-10/h4-8,16H,1-3H3,(H,18,19)/b11-8+