[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-iodanylbenzoate

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-iodanylbenzoate Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [2-(4-bromo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C16H13BrINO3 MolecularWeight: 474.08779

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)C2=CC(=CC=C2)I

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)C2=CC(=CC=C2)I

InChI

InChI=1S/C16H13BrINO3/c1-10-7-12(17)5-6-14(10)19-15(20)9-22-16(21)11-3-2-4-13(18)8-11/h2-8H,9H2,1H3,(H,19,20)