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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OC)C(=O)N(C)C1=CC=CC=C1I

Isomeric SMILES

C/C(=C\C(=O)OC)/C(=O)N(C)C1=CC=CC=C1I

InChI

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