[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] adamantane-1-carboxylate

Systemtic Name: [(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] adamantane-1-carboxylate Openeye Name: [(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H24N2O5/c1-12(18(23)21-16-4-2-3-5-17(16)22(25)26)27-19(24)20-9-13-6-14(10-20)8-15(7-13)11-20/h2-5,12-15H,6-11H2,1H3,(H,21,23)/t12-,13?,14?,15?,20?/m1/s1