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

Systemtic Name: 1-chloranyl-3-(4-methyl-3-nitro-phenyl)adamantane Openeye Name: 1-chloro-3-(4-methyl-3-nitro-phenyl)adamantane CAS Name: 1-chloro-3-(4-methyl-3-nitrophenyl)adamantane IUPAC Name: 1-chloro-3-(4-methyl-3-nitrophenyl)adamantane Traditional Name: 1-chloro-3-(4-methyl-3-nitro-phenyl)adamantane Formula: C17H20ClNO2 MolecularWeight: 305.7992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClNO2/c1-11-2-3-14(5-15(11)19(20)21)16-6-12-4-13(7-16)9-17(18,8-12)10-16/h2-3,5,12-13H,4,6-10H2,1H3