[2-[(3-nitrophenyl)carbonylamino]-2-oxidanylidene-ethyl] 3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-[(3-nitrophenyl)carbonylamino]-2-oxidanylidene-ethyl] 3-chloranyladamantane-1-carboxylate Openeye Name: [2-[(3-nitrobenzoyl)amino]-2-oxo-ethyl] 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [2-[[(3-nitrophenyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-nitrobenzoyl)amino]-2-oxoethyl] 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid [2-keto-2-[(3-nitrobenzoyl)amino]ethyl] ester Formula: C20H21ClN2O6 MolecularWeight: 420.84354

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC(=O)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC(=O)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN2O6/c21-20-8-12-4-13(9-20)7-19(6-12,11-20)18(26)29-10-16(24)22-17(25)14-2-1-3-15(5-14)23(27)28/h1-3,5,12-13H,4,6-11H2,(H,22,24,25)