methyl 4-[2-(5-nitrofuran-2-yl)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: methyl 4-[2-(5-nitrofuran-2-yl)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: methyl 4-[2-(5-nitro-2-furyl)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 4-[[2-(5-nitro-2-furanyl)-2-oxoethyl]thio]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(5-nitrofuran-2-yl)-2-oxoethyl]sulfanylbenzoate Traditional Name: 4-[[2-keto-2-(5-nitro-2-furyl)ethyl]thio]benzoic acid methyl ester Formula: C14H11NO6S MolecularWeight: 321.30524

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)SCC(=O)C2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)SCC(=O)C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C14H11NO6S/c1-20-14(17)9-2-4-10(5-3-9)22-8-11(16)12-6-7-13(21-12)15(18)19/h2-7H,8H2,1H3