(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1,3-benzothiazole-6-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1,3-benzothiazole-6-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H12N2O6S MolecularWeight: 372.35198

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC4=C(C=C3)N=CS4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC4=C(C=C3)N=CS4)[N+](=O)[O-]

InChI

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