(4-nitrophenyl)methyl 3-acetamidoadamantane-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-acetamidoadamantane-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid (4-nitrobenzyl) ester Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O5/c1-13(23)21-20-9-15-6-16(10-20)8-19(7-15,12-20)18(24)27-11-14-2-4-17(5-3-14)22(25)26/h2-5,15-16H,6-12H2,1H3,(H,21,23)