ethyl 4-(2-ethoxy-2-oxidanylidene-ethyl)sulfonyl-3-nitro-benzoate

Systemtic Name: ethyl 4-(2-ethoxy-2-oxidanylidene-ethyl)sulfonyl-3-nitro-benzoate Openeye Name: ethyl 4-(2-ethoxy-2-oxo-ethyl)sulfonyl-3-nitro-benzoate CAS Name: 4-(2-ethoxy-2-oxoethyl)sulfonyl-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-(2-ethoxy-2-oxoethyl)sulfonyl-3-nitrobenzoate Traditional Name: 4-(2-ethoxy-2-keto-ethyl)sulfonyl-3-nitro-benzoic acid ethyl ester Formula: C13H15NO8S MolecularWeight: 345.3251

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C13H15NO8S/c1-3-21-12(15)8-23(19,20)11-6-5-9(13(16)22-4-2)7-10(11)14(17)18/h5-7H,3-4,8H2,1-2H3