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

Systemtic Name: 6-azanylidene-3-(4-ethoxy-3-methoxy-phenyl)-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 3-(4-ethoxy-3-methoxy-phenyl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 3-(4-ethoxy-3-methoxyphenyl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 3-(4-ethoxy-3-methoxyphenyl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 3-(4-ethoxy-3-methoxy-phenyl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-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)C)C4=CC=CC=C4)C#N)(C#N)C#N)OC

Isomeric SMILES

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

InChI

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