5-[3-azanyl-1-(1,3-benzodioxol-5-yl)-2,4,4-tricyano-but-3-enyl]-2,2-dimethyl-6-oxidanylidene-1,3-dioxin-4-olate

Systemtic Name: 5-[3-azanyl-1-(1,3-benzodioxol-5-yl)-2,4,4-tricyano-but-3-enyl]-2,2-dimethyl-6-oxidanylidene-1,3-dioxin-4-olate Openeye Name: 5-[3-amino-1-(1,3-benzodioxol-5-yl)-2,4,4-tricyano-but-3-enyl]-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate CAS Name: 5-[3-amino-1-(1,3-benzodioxol-5-yl)-2,4,4-tricyanobut-3-enyl]-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate IUPAC Name: 5-[3-amino-1-(1,3-benzodioxol-5-yl)-2,4,4-tricyanobut-3-enyl]-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate Traditional Name: 5-[3-amino-1-(1,3-benzodioxol-5-yl)-2,4,4-tricyano-but-3-enyl]-6-keto-2,2-dimethyl-1,3-dioxin-4-olate Formula: C20H15N4O6- MolecularWeight: 407.3563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=C(C(=O)O1)C(C2=CC3=C(C=C2)OCO3)C(C#N)C(=C(C#N)C#N)N)[O-])C

Isomeric SMILES

CC1(OC(=C(C(=O)O1)C(C2=CC3=C(C=C2)OCO3)C(C#N)C(=C(C#N)C#N)N)[O-])C

InChI

InChI=1S/C20H16N4O6/c1-20(2)29-18(25)16(19(26)30-20)15(12(8-23)17(24)11(6-21)7-22)10-3-4-13-14(5-10)28-9-27-13/h3-5,12,15,25H,9,24H2,1-2H3/p-1