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

Systemtic Name: 5-(3-azanyl-2-cyano-3-oxidanylidene-1-phenyl-propyl)-2,2-dimethyl-6-oxidanylidene-1,3-dioxin-4-olate Openeye Name: 5-(3-amino-2-cyano-3-oxo-1-phenyl-propyl)-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate CAS Name: 5-(3-amino-2-cyano-3-oxo-1-phenylpropyl)-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate IUPAC Name: 5-(3-amino-2-cyano-3-oxo-1-phenylpropyl)-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate Traditional Name: 5-(3-amino-2-cyano-3-keto-1-phenyl-propyl)-6-keto-2,2-dimethyl-1,3-dioxin-4-olate Formula: C16H15N2O5- MolecularWeight: 315.3007

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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(=O)N)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O5/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/h3-7,10-11,20H,1-2H3,(H2,18,19)/p-1