(5-ethanoyl-2-ethoxy-phenyl)methyl 2-(dimethylamino)-5-nitro-benzoate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 2-(dimethylamino)-5-nitro-benzoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6/c1-5-27-19-9-6-14(13(2)23)10-15(19)12-28-20(24)17-11-16(22(25)26)7-8-18(17)21(3)4/h6-11H,5,12H2,1-4H3