methyl 4-(2-methoxy-2-oxidanylidene-ethyl)sulfonyl-3-nitro-benzoate

Systemtic Name: methyl 4-(2-methoxy-2-oxidanylidene-ethyl)sulfonyl-3-nitro-benzoate Openeye Name: methyl 4-(2-methoxy-2-oxo-ethyl)sulfonyl-3-nitro-benzoate CAS Name: 4-(2-methoxy-2-oxoethyl)sulfonyl-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(2-methoxy-2-oxoethyl)sulfonyl-3-nitrobenzoate Traditional Name: 4-(2-keto-2-methoxy-ethyl)sulfonyl-3-nitro-benzoic acid methyl ester Formula: C11H11NO8S MolecularWeight: 317.27194

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C11H11NO8S/c1-19-10(13)6-21(17,18)9-4-3-7(11(14)20-2)5-8(9)12(15)16/h3-5H,6H2,1-2H3