5-(3-azanyl-2,4,4-tricyano-1-phenyl-but-3-enyl)-2,2-dimethyl-6-oxidanylidene-1,3-dioxin-4-olate; 4-methylmorpholin-4-ium

Systemtic Name: 5-(3-azanyl-2,4,4-tricyano-1-phenyl-but-3-enyl)-2,2-dimethyl-6-oxidanylidene-1,3-dioxin-4-olate; 4-methylmorpholin-4-ium Openeye Name: 5-(3-amino-2,4,4-tricyano-1-phenyl-but-3-enyl)-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate; 4-methylmorpholin-4-ium CAS Name: 5-(3-amino-2,4,4-tricyano-1-phenylbut-3-enyl)-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate; 4-methylmorpholin-4-ium IUPAC Name: 5-(3-amino-2,4,4-tricyano-1-phenylbut-3-enyl)-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate; 4-methylmorpholin-4-ium Traditional Name: 5-(3-amino-2,4,4-tricyano-1-phenyl-but-3-enyl)-6-keto-2,2-dimethyl-1,3-dioxin-4-olate; 4-methylmorpholin-4-ium Formula: C24H27N5O5 MolecularWeight: 465.50168

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=C(C(=O)O1)C(C2=CC=CC=C2)C(C#N)C(=C(C#N)C#N)N)[O-])C.C[NH+]1CCOCC1

Isomeric SMILES

CC1(OC(=C(C(=O)O1)C(C2=CC=CC=C2)C(C#N)C(=C(C#N)C#N)N)[O-])C.C[NH+]1CCOCC1

InChI

InChI=1S/C19H16N4O4.C5H11NO/c1-19(2)26-17(24)15(18(25)27-19)14(11-6-4-3-5-7-11)13(10-22)16(23)12(8-20)9-21;1-6-2-4-7-5-3-6/h3-7,13-14,24H,23H2,1-2H3;2-5H2,1H3