[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-oxidanyladamantane-1-carboxylate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-oxidanyladamantane-1-carboxylate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C20H24N2O6 MolecularWeight: 388.41436

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O6/c1-12(17(23)21-15-3-2-4-16(6-15)22(26)27)28-18(24)19-7-13-5-14(8-19)10-20(25,9-13)11-19/h2-4,6,12-14,25H,5,7-11H2,1H3,(H,21,23)