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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(C2(C(C(O1)(OC2=N)C)C3=CC=CC=C3OC)C#N)(C#N)C#N

Isomeric SMILES

CC(C)CC1C(C2(C(C(O1)(OC2=N)C)C3=CC=CC=C3OC)C#N)(C#N)C#N

InChI

InChI=1S/C21H22N4O3/c1-13(2)9-16-20(10-22,11-23)21(12-24)17(19(3,27-16)28-18(21)25)14-7-5-6-8-15(14)26-4/h5-8,13,16-17,25H,9H2,1-4H3