(5-ethanoyl-2-ethoxy-phenyl)methyl 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-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=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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