4-(1-adamantylmethylamino)-5-nitro-benzene-1,2-dicarbonitrile

Systemtic Name: 4-(1-adamantylmethylamino)-5-nitro-benzene-1,2-dicarbonitrile Openeye Name: 4-(1-adamantylmethylamino)-5-nitro-phthalonitrile CAS Name: 4-(1-adamantylmethylamino)-5-nitrobenzene-1,2-dicarbonitrile IUPAC Name: 4-(1-adamantylmethylamino)-5-nitrobenzene-1,2-dicarbonitrile Traditional Name: 4-(1-adamantylmethylamino)-5-nitro-phthalonitrile Formula: C19H20N4O2 MolecularWeight: 336.3877

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC4=C(C=C(C(=C4)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC4=C(C=C(C(=C4)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O2/c20-9-15-4-17(18(23(24)25)5-16(15)10-21)22-11-19-6-12-1-13(7-19)3-14(2-12)8-19/h4-5,12-14,22H,1-3,6-8,11H2