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

Systemtic Name: 7-azanylidene-3-butyl-5-(4-methoxyphenyl)-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Openeye Name: 3-butyl-7-imino-5-(4-methoxyphenyl)-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile CAS Name: 3-butyl-7-imino-5-(4-methoxyphenyl)-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile IUPAC Name: 3-butyl-7-imino-5-(4-methoxyphenyl)-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Traditional Name: 3-butyl-7-imino-5-(4-methoxyphenyl)-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(C2(C(C(O1)(OC2=N)C3=CC=C(C=C3)OC)C)C#N)(C#N)C#N

Isomeric SMILES

CCCCC1C(C2(C(C(O1)(OC2=N)C3=CC=C(C=C3)OC)C)C#N)(C#N)C#N

InChI

InChI=1S/C21H22N4O3/c1-4-5-6-17-19(11-22,12-23)20(13-24)14(2)21(27-17,28-18(20)25)15-7-9-16(26-3)10-8-15/h7-10,14,17,25H,4-6H2,1-3H3