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

Systemtic Name: 5-(3-azanyl-2,4,4-tricyano-1-phenyl-but-3-enyl)-2,2-dimethyl-6-oxidanylidene-1,3-dioxin-4-olate Openeye Name: 5-(3-amino-2,4,4-tricyano-1-phenyl-but-3-enyl)-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate CAS Name: 5-(3-amino-2,4,4-tricyano-1-phenylbut-3-enyl)-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate IUPAC Name: 5-(3-amino-2,4,4-tricyano-1-phenylbut-3-enyl)-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate Traditional Name: 5-(3-amino-2,4,4-tricyano-1-phenyl-but-3-enyl)-6-keto-2,2-dimethyl-1,3-dioxin-4-olate Formula: C19H15N4O4- MolecularWeight: 363.3468

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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

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

InChI

InChI=1S/C19H16N4O4/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/h3-7,13-14,24H,23H2,1-2H3/p-1