1-[5-(2-chloranyl-4-nitro-phenyl)-2-phenylmethoxy-phenyl]adamantane

Systemtic Name: 1-[5-(2-chloranyl-4-nitro-phenyl)-2-phenylmethoxy-phenyl]adamantane Openeye Name: 1-[2-benzyloxy-5-(2-chloro-4-nitro-phenyl)phenyl]adamantane CAS Name: 1-[5-(2-chloro-4-nitrophenyl)-2-phenylmethoxyphenyl]adamantane IUPAC Name: 1-[5-(2-chloro-4-nitrophenyl)-2-phenylmethoxyphenyl]adamantane Traditional Name: 1-[2-benzoxy-5-(2-chloro-4-nitro-phenyl)phenyl]adamantane Formula: C29H28ClNO3 MolecularWeight: 473.99052

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=C(C=C(C=C5)[N+](=O)[O-])Cl)OCC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=C(C=C(C=C5)[N+](=O)[O-])Cl)OCC6=CC=CC=C6

InChI

InChI=1S/C29H28ClNO3/c30-27-14-24(31(32)33)7-8-25(27)23-6-9-28(34-18-19-4-2-1-3-5-19)26(13-23)29-15-20-10-21(16-29)12-22(11-20)17-29/h1-9,13-14,20-22H,10-12,15-18H2