(4-nitrophenyl)methyl 4-tert-butylcyclohexane-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-tert-butylcyclohexane-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-tert-butylcyclohexanecarboxylate CAS Name: 4-tert-butyl-1-cyclohexanecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-tert-butylcyclohexane-1-carboxylate Traditional Name: 4-tert-butylcyclohexanecarboxylic acid (4-nitrobenzyl) ester Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H25NO4/c1-18(2,3)15-8-6-14(7-9-15)17(20)23-12-13-4-10-16(11-5-13)19(21)22/h4-5,10-11,14-15H,6-9,12H2,1-3H3