[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-iodanylbenzoate

Systemtic Name: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-iodanylbenzoate Openeye Name: [2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [2-keto-2-(2-methoxy-4-nitro-anilino)ethyl] ester Formula: C16H13IN2O6 MolecularWeight: 456.18869

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=C(C=C2)I

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=C(C=C2)I

InChI

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