2-(1-adamantylmethylamino)-5-nitro-benzenecarbonitrile

Systemtic Name: 2-(1-adamantylmethylamino)-5-nitro-benzenecarbonitrile Openeye Name: 2-(1-adamantylmethylamino)-5-nitro-benzonitrile CAS Name: 2-(1-adamantylmethylamino)-5-nitrobenzonitrile IUPAC Name: 2-(1-adamantylmethylamino)-5-nitrobenzonitrile Traditional Name: 2-(1-adamantylmethylamino)-5-nitro-benzonitrile Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2/c19-10-15-6-16(21(22)23)1-2-17(15)20-11-18-7-12-3-13(8-18)5-14(4-12)9-18/h1-2,6,12-14,20H,3-5,7-9,11H2