(1,3,3-trimethyl-2-oxidanylidene-cyclohexyl) 4-nitrobenzoate

Systemtic Name: (1,3,3-trimethyl-2-oxidanylidene-cyclohexyl) 4-nitrobenzoate Openeye Name: (1,3,3-trimethyl-2-oxo-cyclohexyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (1,3,3-trimethyl-2-oxocyclohexyl) ester IUPAC Name: (1,3,3-trimethyl-2-oxocyclohexyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-keto-1,3,3-trimethyl-cyclohexyl) ester Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(C1=O)(C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1(CCCC(C1=O)(C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H19NO5/c1-15(2)9-4-10-16(3,14(15)19)22-13(18)11-5-7-12(8-6-11)17(20)21/h5-8H,4,9-10H2,1-3H3