(4-nitrophenyl)methyl 4,5-dimethoxy-2-(2-thiophen-2-ylethanoylamino)benzoate

Systemtic Name: (4-nitrophenyl)methyl 4,5-dimethoxy-2-(2-thiophen-2-ylethanoylamino)benzoate Openeye Name: (4-nitrophenyl)methyl 4,5-dimethoxy-2-[[2-(2-thienyl)acetyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[(1-oxo-2-thiophen-2-ylethyl)amino]benzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[2-(2-thienyl)acetyl]amino]benzoic acid (4-nitrobenzyl) ester Formula: C22H20N2O7S MolecularWeight: 456.4684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CC3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CC3=CC=CS3)OC

InChI

InChI=1S/C22H20N2O7S/c1-29-19-11-17(22(26)31-13-14-5-7-15(8-6-14)24(27)28)18(12-20(19)30-2)23-21(25)10-16-4-3-9-32-16/h3-9,11-12H,10,13H2,1-2H3,(H,23,25)