1-(2-methoxy-5-nitro-phenyl)adamantane

Systemtic Name: 1-(2-methoxy-5-nitro-phenyl)adamantane Openeye Name: 1-(2-methoxy-5-nitro-phenyl)adamantane CAS Name: 1-(2-methoxy-5-nitrophenyl)adamantane IUPAC Name: 1-(2-methoxy-5-nitrophenyl)adamantane Traditional Name: 1-(2-methoxy-5-nitro-phenyl)adamantane Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO3/c1-21-16-3-2-14(18(19)20)7-15(16)17-8-11-4-12(9-17)6-13(5-11)10-17/h2-3,7,11-13H,4-6,8-10H2,1H3