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

Systemtic Name: O1-methyl O3-[(2-methyl-1,3-thiazol-4-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[(2-methylthiazol-4-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[(2-methyl-4-thiazolyl)methyl] ester IUPAC Name: 1-O-methyl 3-O-[(2-methyl-1,3-thiazol-4-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[(2-methylthiazol-4-yl)methyl] ester Formula: C14H12N2O6S MolecularWeight: 336.31988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O6S/c1-8-15-11(7-23-8)6-22-14(18)10-3-9(13(17)21-2)4-12(5-10)16(19)20/h3-5,7H,6H2,1-2H3