[2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-iodanyl-2-oxidanyl-benzoate

Systemtic Name: [2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-iodanyl-2-oxidanyl-benzoate Openeye Name: [2-(4-ethoxy-2-nitro-anilino)-2-oxo-ethyl] 2-hydroxy-5-iodo-benzoate CAS Name: 2-hydroxy-5-iodobenzoic acid [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] 2-hydroxy-5-iodobenzoate Traditional Name: 2-hydroxy-5-iodo-benzoic acid [2-(4-ethoxy-2-nitro-anilino)-2-keto-ethyl] ester Formula: C17H15IN2O7 MolecularWeight: 486.21467

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)I)O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)I)O)[N+](=O)[O-]

InChI

InChI=1S/C17H15IN2O7/c1-2-26-11-4-5-13(14(8-11)20(24)25)19-16(22)9-27-17(23)12-7-10(18)3-6-15(12)21/h3-8,21H,2,9H2,1H3,(H,19,22)