(3S,4S)-2-azanylidene-4-(2,2-dimethyl-4-oxidanyl-6-oxidanylidene-1,3-dioxin-5-yl)-4-phenyl-butane-1,1,3-tricarbonitrile

Systemtic Name: (3S,4S)-2-azanylidene-4-(2,2-dimethyl-4-oxidanyl-6-oxidanylidene-1,3-dioxin-5-yl)-4-phenyl-butane-1,1,3-tricarbonitrile Openeye Name: (3S,4S)-4-(4-hydroxy-2,2-dimethyl-6-oxo-1,3-dioxin-5-yl)-2-imino-4-phenyl-butane-1,1,3-tricarbonitrile CAS Name: (3S,4S)-4-(4-hydroxy-2,2-dimethyl-6-oxo-1,3-dioxin-5-yl)-2-imino-4-phenylbutane-1,1,3-tricarbonitrile IUPAC Name: (3S,4S)-4-(4-hydroxy-2,2-dimethyl-6-oxo-1,3-dioxin-5-yl)-2-imino-4-phenylbutane-1,1,3-tricarbonitrile Traditional Name: (3S,4S)-4-(4-hydroxy-6-keto-2,2-dimethyl-1,3-dioxin-5-yl)-2-imino-4-phenyl-butane-1,1,3-tricarbonitrile Formula: C19H16N4O4 MolecularWeight: 364.35474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1(OC(=C(C(=O)O1)[C@H](C2=CC=CC=C2)[C@H](C#N)C(=N)C(C#N)C#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/h3-7,12-14,23-24H,1-2H3/t13-,14+/m0/s1