[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate CAS Name: 1-[1-adamantyl(oxo)methyl]-2-pyrrolidinecarboxylic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C25H31N3O6 MolecularWeight: 469.53014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2CCCN2C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2CCCN2C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H31N3O6/c1-15(22(29)26-19-4-6-20(7-5-19)28(32)33)34-23(30)21-3-2-8-27(21)24(31)25-12-16-9-17(13-25)11-18(10-16)14-25/h4-7,15-18,21H,2-3,8-14H2,1H3,(H,26,29)