3-[(3Z)-3-(4-azanyl-1,2,5-oxadiazol-3-ylidene)-2-oxidanylidene-1,2,4-oxadiazol-2-ium-5-yl]-6-cyclohexyl-hexanoate

Systemtic Name: 3-[(3Z)-3-(4-azanyl-1,2,5-oxadiazol-3-ylidene)-2-oxidanylidene-1,2,4-oxadiazol-2-ium-5-yl]-6-cyclohexyl-hexanoate Openeye Name: 3-[(3Z)-3-(4-amino-1,2,5-oxadiazol-3-ylidene)-2-oxo-1,2,4-oxadiazol-2-ium-5-yl]-6-cyclohexyl-hexanoate CAS Name: 3-[(3Z)-3-(4-amino-1,2,5-oxadiazol-3-ylidene)-2-oxo-1,2,4-oxadiazol-2-ium-5-yl]-6-cyclohexylhexanoate IUPAC Name: 3-[(3Z)-3-(4-amino-1,2,5-oxadiazol-3-ylidene)-2-oxo-1,2,4-oxadiazol-2-ium-5-yl]-6-cyclohexylhexanoate Traditional Name: 3-[(3Z)-3-(4-aminofurazan-3-ylidene)-2-keto-1,2,4-oxadiazol-2-ium-5-yl]-6-cyclohexyl-hexanoate Formula: C16H23N5O5 MolecularWeight: 365.38432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCC(CC(=O)[O-])C2=NC(=C3C(=NON3)N)[N+](=O)O2

Isomeric SMILES

C1CCC(CC1)CCCC(CC(=O)[O-])C2=N/C(=C/3\C(=NON3)N)/[N+](=O)O2

InChI

InChI=1S/C16H23N5O5/c17-14-13(19-26-20-14)15-18-16(25-21(15)24)11(9-12(22)23)8-4-7-10-5-2-1-3-6-10/h10-11H,1-9H2,(H3-,17,19,20,22,23,24)