6-azanylidene-1-methyl-3-pentan-3-yl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile

Systemtic Name: 6-azanylidene-1-methyl-3-pentan-3-yl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 3-(1-ethylpropyl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 6-imino-1-methyl-3-pentan-3-yl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 6-imino-1-methyl-3-pentan-3-yl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 3-(1-ethylpropyl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1C(C2(C(C(O1)(OC2=N)C)C3=CC=CC=C3)C#N)(C#N)C#N

Isomeric SMILES

CCC(CC)C1C(C2(C(C(O1)(OC2=N)C)C3=CC=CC=C3)C#N)(C#N)C#N

InChI

InChI=1S/C21H22N4O2/c1-4-14(5-2)17-20(11-22,12-23)21(13-24)16(15-9-7-6-8-10-15)19(3,26-17)27-18(21)25/h6-10,14,16-17,25H,4-5H2,1-3H3