[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-iodanyl-2-oxidanyl-benzoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-iodanyl-2-oxidanyl-benzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 2-hydroxy-5-iodo-benzoate CAS Name: 2-hydroxy-5-iodobenzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 2-hydroxy-5-iodobenzoate Traditional Name: 2-hydroxy-5-iodo-benzoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C16H13IN2O6 MolecularWeight: 456.18869

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=C(C=CC(=C2)I)O

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=C(C=CC(=C2)I)O

InChI

InChI=1S/C16H13IN2O6/c1-9(25-16(22)13-7-10(17)5-6-14(13)20)15(21)18-11-3-2-4-12(8-11)19(23)24/h2-9,20H,1H3,(H,18,21)