(E)-4-[(2-iodanyl-3-methyl-phenyl)amino]-3-methyl-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(2-iodanyl-3-methyl-phenyl)amino]-3-methyl-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(2-iodo-3-methyl-anilino)-3-methyl-4-oxo-but-2-enoic acid CAS Name: (E)-4-(2-iodo-3-methylanilino)-3-methyl-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(2-iodo-3-methylanilino)-3-methyl-4-oxobut-2-enoic acid Traditional Name: (E)-4-(2-iodo-3-methyl-anilino)-4-keto-3-methyl-but-2-enoic acid Formula: C12H12INO3 MolecularWeight: 345.13305

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)/C(=C/C(=O)O)/C)I

InChI

InChI=1S/C12H12INO3/c1-7-4-3-5-9(11(7)13)14-12(17)8(2)6-10(15)16/h3-6H,1-2H3,(H,14,17)(H,15,16)/b8-6+