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

Systemtic Name: methyl (E)-4-[(2-iodanyl-3-methyl-phenyl)amino]-3-methyl-4-oxidanylidene-but-2-enoate Openeye Name: methyl (E)-4-(2-iodo-3-methyl-anilino)-3-methyl-4-oxo-but-2-enoate CAS Name: (E)-4-(2-iodo-3-methylanilino)-3-methyl-4-oxo-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(2-iodo-3-methylanilino)-3-methyl-4-oxobut-2-enoate Traditional Name: (E)-4-(2-iodo-3-methyl-anilino)-4-keto-3-methyl-but-2-enoic acid methyl ester Formula: C13H14INO3 MolecularWeight: 359.15963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14INO3/c1-8-5-4-6-10(12(8)14)15-13(17)9(2)7-11(16)18-3/h4-7H,1-3H3,(H,15,17)/b9-7+