O1-ethyl O3-[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-(3-iodoanilino)-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-(3-iodoanilino)-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C18H15IN2O7 MolecularWeight: 498.22537

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15IN2O7/c1-2-27-17(23)11-6-12(8-15(7-11)21(25)26)18(24)28-10-16(22)20-14-5-3-4-13(19)9-14/h3-9H,2,10H2,1H3,(H,20,22)