O3-[(2-acetamido-1,3-thiazol-4-yl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[(2-acetamido-1,3-thiazol-4-yl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[(2-acetamidothiazol-4-yl)methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(2-acetamido-4-thiazolyl)methyl] ester O1-methyl ester IUPAC Name: 3-O-[(2-acetamido-1,3-thiazol-4-yl)methyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(2-acetamidothiazol-4-yl)methyl] ester O1-methyl ester Formula: C15H13N3O7S MolecularWeight: 379.34462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O7S/c1-8(19)16-15-17-11(7-26-15)6-25-14(21)10-3-9(13(20)24-2)4-12(5-10)18(22)23/h3-5,7H,6H2,1-2H3,(H,16,17,19)