[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(dimethylamino)-5-nitro-benzoate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(dimethylamino)-5-nitro-benzoate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C17H16IN3O5 MolecularWeight: 469.23051

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16IN3O5/c1-20(2)15-7-6-13(21(24)25)9-14(15)17(23)26-10-16(22)19-12-5-3-4-11(18)8-12/h3-9H,10H2,1-2H3,(H,19,22)