O1-(cyclohexylmethyl) O2-(4-fluoranyl-2-nitro-phenyl) benzene-1,2-dicarboxylate

Systemtic Name: O1-(cyclohexylmethyl) O2-(4-fluoranyl-2-nitro-phenyl) benzene-1,2-dicarboxylate Openeye Name: O1-(cyclohexylmethyl) O2-(4-fluoro-2-nitro-phenyl) benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid O1-(cyclohexylmethyl) ester O2-(4-fluoro-2-nitrophenyl) ester IUPAC Name: 1-O-(cyclohexylmethyl) 2-O-(4-fluoro-2-nitrophenyl) benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid O1-(cyclohexylmethyl) ester O2-(4-fluoro-2-nitro-phenyl) ester Formula: C21H20FNO6 MolecularWeight: 401.385003

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC(=O)C2=CC=CC=C2C(=O)OC3=C(C=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)COC(=O)C2=CC=CC=C2C(=O)OC3=C(C=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H20FNO6/c22-15-10-11-19(18(12-15)23(26)27)29-21(25)17-9-5-4-8-16(17)20(24)28-13-14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7,13H2