methyl (1S,6R)-4-[(3-iodanylphenyl)amino]-6-methyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl (1S,6R)-4-[(3-iodanylphenyl)amino]-6-methyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: methyl (1S,6R)-4-(3-iodoanilino)-6-methyl-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-4-(3-iodoanilino)-6-methyl-2-oxo-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1S,6R)-4-(3-iodoanilino)-6-methyl-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-4-(3-iodoanilino)-2-keto-6-methyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C15H16INO3 MolecularWeight: 385.19691

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC(=O)C1C(=O)OC)NC2=CC(=CC=C2)I

Isomeric SMILES

C[C@@H]1CC(=CC(=O)[C@H]1C(=O)OC)NC2=CC(=CC=C2)I

InChI

InChI=1S/C15H16INO3/c1-9-6-12(8-13(18)14(9)15(19)20-2)17-11-5-3-4-10(16)7-11/h3-5,7-9,14,17H,6H2,1-2H3/t9-,14+/m1/s1