4-[2-(1-adamantyl)ethylamino]-5-nitro-benzene-1,2-dicarbonitrile

Systemtic Name: 4-[2-(1-adamantyl)ethylamino]-5-nitro-benzene-1,2-dicarbonitrile Openeye Name: 4-[2-(1-adamantyl)ethylamino]-5-nitro-phthalonitrile CAS Name: 4-[2-(1-adamantyl)ethylamino]-5-nitrobenzene-1,2-dicarbonitrile IUPAC Name: 4-[2-(1-adamantyl)ethylamino]-5-nitrobenzene-1,2-dicarbonitrile Traditional Name: 4-[2-(1-adamantyl)ethylamino]-5-nitro-phthalonitrile Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CCNC4=C(C=C(C(=C4)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CCNC4=C(C=C(C(=C4)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O2/c21-11-16-6-18(19(24(25)26)7-17(16)12-22)23-2-1-20-8-13-3-14(9-20)5-15(4-13)10-20/h6-7,13-15,23H,1-5,8-10H2