(phenylmethyl) 3-(4-nitrophenyl)adamantane-1-carboxylate

Systemtic Name: (phenylmethyl) 3-(4-nitrophenyl)adamantane-1-carboxylate Openeye Name: benzyl 3-(4-nitrophenyl)adamantane-1-carboxylate CAS Name: 3-(4-nitrophenyl)-1-adamantanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(4-nitrophenyl)adamantane-1-carboxylate Traditional Name: 3-(4-nitrophenyl)adamantane-1-carboxylic acid benzyl ester Formula: C24H25NO4 MolecularWeight: 391.4596

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C(=O)OCC4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C(=O)OCC4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H25NO4/c26-22(29-15-17-4-2-1-3-5-17)24-13-18-10-19(14-24)12-23(11-18,16-24)20-6-8-21(9-7-20)25(27)28/h1-9,18-19H,10-16H2