methyl 4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzoate

Systemtic Name: methyl 4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzoate Openeye Name: methyl 4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-ethyl]sulfanyl-3-nitro-benzoate CAS Name: 4-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]thio]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]sulfanyl-3-nitrobenzoate Traditional Name: 4-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-keto-ethyl]thio]-3-nitro-benzoic acid methyl ester Formula: C17H20N2O7S MolecularWeight: 396.4149

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)SCC(=O)N2CCC3(CC2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)SCC(=O)N2CCC3(CC2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O7S/c1-24-16(21)12-2-3-14(13(10-12)19(22)23)27-11-15(20)18-6-4-17(5-7-18)25-8-9-26-17/h2-3,10H,4-9,11H2,1H3