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

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] adamantane-1-carboxylate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-keto-1-methyl-2-(3-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

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

InChI

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