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

Systemtic Name: tert-butyl 1-[(2-nitrophenyl)methyl]-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: tert-butyl 1-[(2-nitrophenyl)methyl]-2-oxo-cyclohexanecarboxylate CAS Name: 1-[(2-nitrophenyl)methyl]-2-oxo-1-cyclohexanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[(2-nitrophenyl)methyl]-2-oxocyclohexane-1-carboxylate Traditional Name: 2-keto-1-(2-nitrobenzyl)cyclohexanecarboxylic acid tert-butyl ester Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CCCCC1=O)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C1(CCCCC1=O)CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H23NO5/c1-17(2,3)24-16(21)18(11-7-6-10-15(18)20)12-13-8-4-5-9-14(13)19(22)23/h4-5,8-9H,6-7,10-12H2,1-3H3