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

Systemtic Name: 7-azanylidene-5-(3-chlorophenyl)-8-methyl-3-(4-octoxyphenyl)-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Openeye Name: 5-(3-chlorophenyl)-7-imino-8-methyl-3-(4-octoxyphenyl)-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile CAS Name: 5-(3-chlorophenyl)-7-imino-8-methyl-3-(4-octoxyphenyl)-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile IUPAC Name: 5-(3-chlorophenyl)-7-imino-8-methyl-3-(4-octoxyphenyl)-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Traditional Name: 5-(3-chlorophenyl)-7-imino-8-methyl-3-(4-octoxyphenyl)-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Formula: C30H31ClN4O3 MolecularWeight: 531.04514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=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

CCCCCCCCOC1=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/C30H31ClN4O3/c1-3-4-5-6-7-8-16-36-25-14-12-22(13-15-25)26-28(18-32,19-33)29(20-34)21(2)30(37-26,38-27(29)35)23-10-9-11-24(31)17-23/h9-15,17,21,26,35H,3-8,16H2,1-2H3