ethyl 2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylcarbonyl)-2-nitro-phenyl]sulfonylethanoate

Systemtic Name: ethyl 2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylcarbonyl)-2-nitro-phenyl]sulfonylethanoate Openeye Name: ethyl 2-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-nitro-phenyl]sulfonylacetate CAS Name: 2-[4-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(oxo)methyl]-2-nitrophenyl]sulfonylacetic acid ethyl ester IUPAC Name: ethyl 2-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-nitrophenyl]sulfonylacetate Traditional Name: 2-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-nitro-phenyl]sulfonylacetic acid ethyl ester Formula: C18H22N2O9S MolecularWeight: 442.44028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)N2CCC3(CC2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CS(=O)(=O)C1=C(C=C(C=C1)C(=O)N2CCC3(CC2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O9S/c1-2-27-16(21)12-30(25,26)15-4-3-13(11-14(15)20(23)24)17(22)19-7-5-18(6-8-19)28-9-10-29-18/h3-4,11H,2,5-10,12H2,1H3