5-[3-azanyl-2-cyano-1-(furan-2-yl)-3-oxidanylidene-propyl]-2,2-dimethyl-6-oxidanylidene-1,3-dioxan-4-olate; triethylazanium

Systemtic Name: 5-[3-azanyl-2-cyano-1-(furan-2-yl)-3-oxidanylidene-propyl]-2,2-dimethyl-6-oxidanylidene-1,3-dioxan-4-olate; triethylazanium Openeye Name: 5-[3-amino-2-cyano-1-(2-furyl)-3-oxo-propyl]-2,2-dimethyl-6-oxo-1,3-dioxan-4-olate; triethylammonium CAS Name: 5-[3-amino-2-cyano-1-(2-furanyl)-3-oxopropyl]-2,2-dimethyl-6-oxo-1,3-dioxan-4-olate; triethylammonium IUPAC Name: 5-[3-amino-2-cyano-1-(furan-2-yl)-3-oxopropyl]-2,2-dimethyl-6-oxo-1,3-dioxan-4-olate; triethylazanium Traditional Name: 5-[3-amino-2-cyano-1-(2-furyl)-3-keto-propyl]-6-keto-2,2-dimethyl-1,3-dioxan-4-olate; triethylammonium Formula: C20H31N3O6 MolecularWeight: 409.47664

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC.CC1(OC(C(C(=O)O1)C(C2=CC=CO2)C(C#N)C(=O)N)[O-])C

Isomeric SMILES

CC[NH+](CC)CC.CC1(OC(C(C(=O)O1)C(C2=CC=CO2)C(C#N)C(=O)N)[O-])C

InChI

InChI=1S/C14H15N2O6.C6H15N/c1-14(2)21-12(18)10(13(19)22-14)9(7(6-15)11(16)17)8-4-3-5-20-8;1-4-7(5-2)6-3/h3-5,7,9-10,12H,1-2H3,(H2,16,17);4-6H2,1-3H3/q-1;/p+1