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

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C21H23NO8 MolecularWeight: 417.40922

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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+](=O)[O-])OCC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO8/c1-5-28-18-8-7-14(13(3)23)9-15(18)12-30-21(24)16-10-19(27-4)20(29-6-2)11-17(16)22(25)26/h7-11H,5-6,12H2,1-4H3