2-(2-adamantylamino)-5-nitro-benzenecarbonitrile

Systemtic Name: 2-(2-adamantylamino)-5-nitro-benzenecarbonitrile Openeye Name: 2-(2-adamantylamino)-5-nitro-benzonitrile CAS Name: 2-(2-adamantylamino)-5-nitrobenzonitrile IUPAC Name: 2-(2-adamantylamino)-5-nitrobenzonitrile Traditional Name: 2-(2-adamantylamino)-5-nitro-benzonitrile Formula: C17H19N3O2 MolecularWeight: 297.35166

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H19N3O2/c18-9-14-8-15(20(21)22)1-2-16(14)19-17-12-4-10-3-11(6-12)7-13(17)5-10/h1-2,8,10-13,17,19H,3-7H2