tert-butyl 1-[(2-nitrophenyl)methyl]-2-oxidanylidene-cyclopentane-1-carboxylate

Systemtic Name: tert-butyl 1-[(2-nitrophenyl)methyl]-2-oxidanylidene-cyclopentane-1-carboxylate Openeye Name: tert-butyl 1-[(2-nitrophenyl)methyl]-2-oxo-cyclopentanecarboxylate CAS Name: 1-[(2-nitrophenyl)methyl]-2-oxo-1-cyclopentanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[(2-nitrophenyl)methyl]-2-oxocyclopentane-1-carboxylate Traditional Name: 2-keto-1-(2-nitrobenzyl)cyclopentanecarboxylic acid tert-butyl ester Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CCCC1=O)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C1(CCCC1=O)CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H21NO5/c1-16(2,3)23-15(20)17(10-6-9-14(17)19)11-12-7-4-5-8-13(12)18(21)22/h4-5,7-8H,6,9-11H2,1-3H3