(E)-4-[(4-bromanyl-2,6-dimethyl-phenyl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(4-bromanyl-2,6-dimethyl-phenyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(4-bromo-2,6-dimethyl-anilino)-4-oxo-but-2-enoic acid CAS Name: (E)-4-(4-bromo-2,6-dimethylanilino)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(4-bromo-2,6-dimethylanilino)-4-oxobut-2-enoic acid Traditional Name: (E)-4-(4-bromo-2,6-dimethyl-anilino)-4-keto-but-2-enoic acid Formula: C12H12BrNO3 MolecularWeight: 298.13258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)C=CC(=O)O)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)/C=C/C(=O)O)C)Br

InChI

InChI=1S/C12H12BrNO3/c1-7-5-9(13)6-8(2)12(7)14-10(15)3-4-11(16)17/h3-6H,1-2H3,(H,14,15)(H,16,17)/b4-3+