O3-[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl] ester O1-methyl ester Formula: C16H13N3O8S MolecularWeight: 407.35472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=C(C=CS2)C(=O)N

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=C(C=CS2)C(=O)N

InChI

InChI=1S/C16H13N3O8S/c1-26-15(22)8-4-9(6-10(5-8)19(24)25)16(23)27-7-12(20)18-14-11(13(17)21)2-3-28-14/h2-6H,7H2,1H3,(H2,17,21)(H,18,20)