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

Systemtic Name: 7-azanylidene-5-(3-chlorophenyl)-3-(4-hexoxyphenyl)-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Openeye Name: 5-(3-chlorophenyl)-3-(4-hexoxyphenyl)-7-imino-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile CAS Name: 5-(3-chlorophenyl)-3-(4-hexoxyphenyl)-7-imino-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile IUPAC Name: 5-(3-chlorophenyl)-3-(4-hexoxyphenyl)-7-imino-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Traditional Name: 5-(3-chlorophenyl)-3-(4-hexoxyphenyl)-7-imino-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Formula: C28H27ClN4O3 MolecularWeight: 502.99198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2C(C3(C(C(O2)(OC3=N)C4=CC(=CC=C4)Cl)C)C#N)(C#N)C#N

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2C(C3(C(C(O2)(OC3=N)C4=CC(=CC=C4)Cl)C)C#N)(C#N)C#N

InChI

InChI=1S/C28H27ClN4O3/c1-3-4-5-6-14-34-23-12-10-20(11-13-23)24-26(16-30,17-31)27(18-32)19(2)28(35-24,36-25(27)33)21-8-7-9-22(29)15-21/h7-13,15,19,24,33H,3-6,14H2,1-2H3