methyl 4-[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(3-iodoanilino)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(3-iodoanilino)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(3-iodoanilino)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(3-iodoanilino)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C16H13IN2O6 MolecularWeight: 456.18869

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC(=CC=C2)I)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC(=CC=C2)I)[N+](=O)[O-]

InChI

InChI=1S/C16H13IN2O6/c1-24-16(21)10-5-6-14(13(7-10)19(22)23)25-9-15(20)18-12-4-2-3-11(17)8-12/h2-8H,9H2,1H3,(H,18,20)