O3-(1,3-benzothiazol-2-ylmethyl) O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-(1,3-benzothiazol-2-ylmethyl) O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-(1,3-benzothiazol-2-ylmethyl) O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(1,3-benzothiazol-2-ylmethyl) ester O1-methyl ester IUPAC Name: 3-O-(1,3-benzothiazol-2-ylmethyl) 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(1,3-benzothiazol-2-ylmethyl) ester O1-methyl ester Formula: C17H12N2O6S MolecularWeight: 372.35198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H12N2O6S/c1-24-16(20)10-6-11(8-12(7-10)19(22)23)17(21)25-9-15-18-13-4-2-3-5-14(13)26-15/h2-8H,9H2,1H3