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

Systemtic Name: 2-(1-adamantyloxy)-5-nitro-benzenecarbonitrile Openeye Name: 2-(1-adamantyloxy)-5-nitro-benzonitrile CAS Name: 2-(1-adamantyloxy)-5-nitrobenzonitrile IUPAC Name: 2-(1-adamantyloxy)-5-nitrobenzonitrile Traditional Name: 2-(1-adamantyloxy)-5-nitro-benzonitrile Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OC4=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OC4=C(C=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H18N2O3/c18-10-14-6-15(19(20)21)1-2-16(14)22-17-7-11-3-12(8-17)5-13(4-11)9-17/h1-2,6,11-13H,3-5,7-9H2