3-(4-methyl-3-nitro-phenyl)adamantan-1-ol

Systemtic Name: 3-(4-methyl-3-nitro-phenyl)adamantan-1-ol Openeye Name: 3-(4-methyl-3-nitro-phenyl)adamantan-1-ol CAS Name: 3-(4-methyl-3-nitrophenyl)-1-adamantanol IUPAC Name: 3-(4-methyl-3-nitrophenyl)adamantan-1-ol Traditional Name: 3-(4-methyl-3-nitro-phenyl)adamantan-1-ol Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)O)[N+](=O)[O-]

InChI

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