(4-aminocarbonyl-2-nitro-phenyl)methyl 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate CAS Name: 4,5-dimethoxy-2-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate Traditional Name: 4,5-dimethoxy-2-(2-thenoylamino)benzoic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C22H19N3O8S MolecularWeight: 485.46656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])NC(=O)C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])NC(=O)C3=CC=CS3)OC

InChI

InChI=1S/C22H19N3O8S/c1-31-17-9-14(15(10-18(17)32-2)24-21(27)19-4-3-7-34-19)22(28)33-11-13-6-5-12(20(23)26)8-16(13)25(29)30/h3-10H,11H2,1-2H3,(H2,23,26)(H,24,27)