1,3-benzothiazol-2-ylmethyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H12N2O6S MolecularWeight: 372.35198

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H12N2O6S/c20-17(25-9-16-18-11-3-1-2-4-15(11)26-16)10-7-13-14(24-6-5-23-13)8-12(10)19(21)22/h1-4,7-8H,5-6,9H2