7-azanylidene-8-methyl-5-phenyl-3-(4-propoxyphenyl)-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile

Systemtic Name: 7-azanylidene-8-methyl-5-phenyl-3-(4-propoxyphenyl)-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Openeye Name: 7-imino-8-methyl-5-phenyl-3-(4-propoxyphenyl)-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile CAS Name: 7-imino-8-methyl-5-phenyl-3-(4-propoxyphenyl)-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile IUPAC Name: 7-imino-8-methyl-5-phenyl-3-(4-propoxyphenyl)-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Traditional Name: 7-imino-8-methyl-5-phenyl-3-(4-propoxyphenyl)-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2C(C3(C(C(O2)(OC3=N)C4=CC=CC=C4)C)C#N)(C#N)C#N

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2C(C3(C(C(O2)(OC3=N)C4=CC=CC=C4)C)C#N)(C#N)C#N

InChI

InChI=1S/C25H22N4O3/c1-3-13-30-20-11-9-18(10-12-20)21-23(14-26,15-27)24(16-28)17(2)25(31-21,32-22(24)29)19-7-5-4-6-8-19/h4-12,17,21,29H,3,13H2,1-2H3