4-[[(1R)-1-(1-adamantyl)ethyl]amino]-5-nitro-benzene-1,2-dicarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC4=C(C=C(C(=C4)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC4=C(C=C(C(=C4)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O2/c1-12(20-7-13-2-14(8-20)4-15(3-13)9-20)23-18-5-16(10-21)17(11-22)6-19(18)24(25)26/h5-6,12-15,23H,2-4,7-9H2,1H3/t12-,13?,14?,15?,20?/m1/s1