tert-butyl 2-[(2-nitrophenyl)methyl]-3-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: tert-butyl 2-[(2-nitrophenyl)methyl]-3-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: tert-butyl 2-[(2-nitrophenyl)methyl]-3-oxo-cyclohexanecarboxylate CAS Name: 2-[(2-nitrophenyl)methyl]-3-oxo-1-cyclohexanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-nitrophenyl)methyl]-3-oxocyclohexane-1-carboxylate Traditional Name: 3-keto-2-(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)C1CCCC(=O)C1CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C1CCCC(=O)C1CC2=CC=CC=C2[N+](=O)[O-]

InChI

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