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

Systemtic Name: 7-azanylidene-3-(4-ethoxy-3-methoxy-phenyl)-8-methyl-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Openeye Name: 3-(4-ethoxy-3-methoxy-phenyl)-7-imino-8-methyl-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile CAS Name: 3-(4-ethoxy-3-methoxyphenyl)-7-imino-8-methyl-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile IUPAC Name: 3-(4-ethoxy-3-methoxyphenyl)-7-imino-8-methyl-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Traditional Name: 3-(4-ethoxy-3-methoxy-phenyl)-7-imino-8-methyl-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Formula: C25H22N4O4 MolecularWeight: 442.46658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C(C3(C(C(O2)(OC3=N)C4=CC=CC=C4)C)C#N)(C#N)C#N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2C(C3(C(C(O2)(OC3=N)C4=CC=CC=C4)C)C#N)(C#N)C#N)OC

InChI

InChI=1S/C25H22N4O4/c1-4-31-19-11-10-17(12-20(19)30-3)21-23(13-26,14-27)24(15-28)16(2)25(32-21,33-22(24)29)18-8-6-5-7-9-18/h5-12,16,21,29H,4H2,1-3H3