1-(4-methyl-3-nitro-phenyl)adamantane

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)adamantane Openeye Name: 1-(4-methyl-3-nitro-phenyl)adamantane CAS Name: 1-(4-methyl-3-nitrophenyl)adamantane IUPAC Name: 1-(4-methyl-3-nitrophenyl)adamantane Traditional Name: 1-(4-methyl-3-nitro-phenyl)adamantane Formula: C17H21NO2 MolecularWeight: 271.35414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO2/c1-11-2-3-15(7-16(11)18(19)20)17-8-12-4-13(9-17)6-14(5-12)10-17/h2-3,7,12-14H,4-6,8-10H2,1H3