cyclohexylmethyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: cyclohexylmethyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: cyclohexylmethyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid cyclohexylmethyl ester Formula: C16H21NO6 MolecularWeight: 323.34104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2CCCCC2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2CCCCC2)[N+](=O)[O-])OC

InChI

InChI=1S/C16H21NO6/c1-21-14-8-12(13(17(19)20)9-15(14)22-2)16(18)23-10-11-6-4-3-5-7-11/h8-9,11H,3-7,10H2,1-2H3