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

Systemtic Name: methyl 3-(4-nitrophenyl)adamantane-1-carboxylate Openeye Name: methyl 3-(4-nitrophenyl)adamantane-1-carboxylate CAS Name: 3-(4-nitrophenyl)-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-nitrophenyl)adamantane-1-carboxylate Traditional Name: 3-(4-nitrophenyl)adamantane-1-carboxylic acid methyl ester Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H21NO4/c1-23-16(20)18-9-12-6-13(10-18)8-17(7-12,11-18)14-2-4-15(5-3-14)19(21)22/h2-5,12-13H,6-11H2,1H3