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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(OC(C(C1(C(=N)O2)C#N)(C#N)C#N)C3=CC(=CC=C3)OCC4=CC=CC=C4)C

Isomeric SMILES

CCC1C2(OC(C(C1(C(=N)O2)C#N)(C#N)C#N)C3=CC(=CC=C3)OCC4=CC=CC=C4)C

InChI

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