1-(4,5-dimethoxy-2-nitro-phenyl)adamantane

Systemtic Name: 1-(4,5-dimethoxy-2-nitro-phenyl)adamantane Openeye Name: 1-(4,5-dimethoxy-2-nitro-phenyl)adamantane CAS Name: 1-(4,5-dimethoxy-2-nitrophenyl)adamantane IUPAC Name: 1-(4,5-dimethoxy-2-nitrophenyl)adamantane Traditional Name: 1-(4,5-dimethoxy-2-nitro-phenyl)adamantane Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C23CC4CC(C2)CC(C4)C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C23CC4CC(C2)CC(C4)C3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H23NO4/c1-22-16-6-14(15(19(20)21)7-17(16)23-2)18-8-11-3-12(9-18)5-13(4-11)10-18/h6-7,11-13H,3-5,8-10H2,1-2H3