2-[1-[(3-bromophenyl)amino]-1-oxidanylidene-propan-2-yl]oxy-5-iodanyl-benzoic acid

Systemtic Name: 2-[1-[(3-bromophenyl)amino]-1-oxidanylidene-propan-2-yl]oxy-5-iodanyl-benzoic acid Openeye Name: 2-[2-(3-bromoanilino)-1-methyl-2-oxo-ethoxy]-5-iodo-benzoic acid CAS Name: 2-[1-(3-bromoanilino)-1-oxopropan-2-yl]oxy-5-iodobenzoic acid IUPAC Name: 2-[1-(3-bromoanilino)-1-oxopropan-2-yl]oxy-5-iodobenzoic acid Traditional Name: 2-[2-(3-bromoanilino)-2-keto-1-methyl-ethoxy]-5-iodo-benzoic acid Formula: C16H13BrINO4 MolecularWeight: 490.08719

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Br)OC2=C(C=C(C=C2)I)C(=O)O

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)Br)OC2=C(C=C(C=C2)I)C(=O)O

InChI

InChI=1S/C16H13BrINO4/c1-9(15(20)19-12-4-2-3-10(17)7-12)23-14-6-5-11(18)8-13(14)16(21)22/h2-9H,1H3,(H,19,20)(H,21,22)