methyl 2-[4-(1-methoxy-1-oxidanylidene-pentan-2-yl)-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-yl]pentanoate

Systemtic Name: methyl 2-[4-(1-methoxy-1-oxidanylidene-pentan-2-yl)-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-yl]pentanoate Openeye Name: methyl 2-[4-(1-methoxycarbonylbutyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]pentanoate CAS Name: 2-[4-(1-methoxy-1-oxopentan-2-yl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]pentanoic acid methyl ester IUPAC Name: methyl 2-[4-(1-methoxy-1-oxopentan-2-yl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]pentanoate Traditional Name: 2-[4-(1-carbomethoxybutyl)-5-oxido-furazan-5-ium-3-yl]valeric acid methyl ester Formula: C14H22N2O6 MolecularWeight: 314.33428

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NO[N+](=C1C(CCC)C(=O)OC)[O-])C(=O)OC

Isomeric SMILES

CCCC(C1=NO[N+](=C1C(CCC)C(=O)OC)[O-])C(=O)OC

InChI

InChI=1S/C14H22N2O6/c1-5-7-9(13(17)20-3)11-12(16(19)22-15-11)10(8-6-2)14(18)21-4/h9-10H,5-8H2,1-4H3