(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H12ClNO6S MolecularWeight: 405.80898

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H12ClNO6S/c19-13-3-11-7-24-9-26-17(11)12(4-13)8-25-18(21)16-6-10-5-14(20(22)23)1-2-15(10)27-16/h1-6H,7-9H2