(2,5-dimethoxyphenyl)methyl 2-(dimethylamino)-5-nitro-benzoate

Systemtic Name: (2,5-dimethoxyphenyl)methyl 2-(dimethylamino)-5-nitro-benzoate Openeye Name: (2,5-dimethoxyphenyl)methyl 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid (2,5-dimethoxyphenyl)methyl ester IUPAC Name: (2,5-dimethoxyphenyl)methyl 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid (2,5-dimethoxybenzyl) ester Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=C(C=CC(=C2)OC)OC

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C18H20N2O6/c1-19(2)16-7-5-13(20(22)23)10-15(16)18(21)26-11-12-9-14(24-3)6-8-17(12)25-4/h5-10H,11H2,1-4H3