(3,4-diethoxyphenyl)methyl 2-chloranyl-4-nitro-benzoate

Systemtic Name: (3,4-diethoxyphenyl)methyl 2-chloranyl-4-nitro-benzoate Openeye Name: (3,4-diethoxyphenyl)methyl 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid (3,4-diethoxyphenyl)methyl ester IUPAC Name: (3,4-diethoxyphenyl)methyl 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid (3,4-diethoxybenzyl) ester Formula: C18H18ClNO6 MolecularWeight: 379.79162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)OCC

InChI

InChI=1S/C18H18ClNO6/c1-3-24-16-8-5-12(9-17(16)25-4-2)11-26-18(21)14-7-6-13(20(22)23)10-15(14)19/h5-10H,3-4,11H2,1-2H3