5-(3-azanyl-2-cyano-3-oxidanylidene-1-phenyl-propyl)-2,2-dimethyl-6-oxidanylidene-1,3-dioxin-4-olate; triethylazanium

Systemtic Name: 5-(3-azanyl-2-cyano-3-oxidanylidene-1-phenyl-propyl)-2,2-dimethyl-6-oxidanylidene-1,3-dioxin-4-olate; triethylazanium Openeye Name: 5-(3-amino-2-cyano-3-oxo-1-phenyl-propyl)-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate; triethylammonium CAS Name: 5-(3-amino-2-cyano-3-oxo-1-phenylpropyl)-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate; triethylammonium IUPAC Name: 5-(3-amino-2-cyano-3-oxo-1-phenylpropyl)-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate; triethylazanium Traditional Name: 5-(3-amino-2-cyano-3-keto-1-phenyl-propyl)-6-keto-2,2-dimethyl-1,3-dioxin-4-olate; triethylammonium Formula: C22H31N3O5 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O5.C6H15N/c1-16(2)22-14(20)12(15(21)23-16)11(10(8-17)13(18)19)9-6-4-3-5-7-9;1-4-7(5-2)6-3/h3-7,10-11,20H,1-2H3,(H2,18,19);4-6H2,1-3H3