[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate CAS Name: 4,5-dimethoxy-2-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate Traditional Name: 4,5-dimethoxy-2-(2-thenoylamino)benzoic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C22H19N3O8S MolecularWeight: 485.46656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC=CS3)OC

InChI

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