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

Systemtic Name: (4-nitrophenyl)methyl 3-bromanyladamantane-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H20BrNO4 MolecularWeight: 394.2597

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrNO4/c19-18-8-13-5-14(9-18)7-17(6-13,11-18)16(21)24-10-12-1-3-15(4-2-12)20(22)23/h1-4,13-14H,5-11H2