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

Systemtic Name: 7-azanylidene-8-ethyl-5-phenyl-3-(4-propoxyphenyl)-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Openeye Name: 8-ethyl-7-imino-5-phenyl-3-(4-propoxyphenyl)-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile CAS Name: 8-ethyl-7-imino-5-phenyl-3-(4-propoxyphenyl)-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile IUPAC Name: 8-ethyl-7-imino-5-phenyl-3-(4-propoxyphenyl)-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Traditional Name: 8-ethyl-7-imino-5-phenyl-3-(4-propoxyphenyl)-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Formula: C26H24N4O3 MolecularWeight: 440.49376

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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)CC)C#N)(C#N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C26H24N4O3/c1-3-14-31-20-12-10-18(11-13-20)22-24(15-27,16-28)25(17-29)21(4-2)26(32-22,33-23(25)30)19-8-6-5-7-9-19/h5-13,21-22,30H,3-4,14H2,1-2H3