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

Systemtic Name: 7-azanylidene-5-(4-bromophenyl)-8-methyl-3-pyridin-4-yl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Openeye Name: 5-(4-bromophenyl)-7-imino-8-methyl-3-(4-pyridyl)-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile CAS Name: 5-(4-bromophenyl)-7-imino-8-methyl-3-pyridin-4-yl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile IUPAC Name: 5-(4-bromophenyl)-7-imino-8-methyl-3-pyridin-4-yl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Traditional Name: 5-(4-bromophenyl)-7-imino-8-methyl-3-(4-pyridyl)-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Formula: C21H14BrN5O2 MolecularWeight: 448.27216

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2(C(=N)OC1(OC(C2(C#N)C#N)C3=CC=NC=C3)C4=CC=C(C=C4)Br)C#N

Isomeric SMILES

CC1C2(C(=N)OC1(OC(C2(C#N)C#N)C3=CC=NC=C3)C4=CC=C(C=C4)Br)C#N

InChI

InChI=1S/C21H14BrN5O2/c1-13-20(12-25)18(26)29-21(13,15-2-4-16(22)5-3-15)28-17(19(20,10-23)11-24)14-6-8-27-9-7-14/h2-9,13,17,26H,1H3