1,3-benzodioxol-5-yl 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid 1,3-benzodioxol-5-yl ester Formula: C16H9NO6S MolecularWeight: 343.31076

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H9NO6S/c18-16(23-11-2-3-12-13(7-11)22-8-21-12)15-6-9-5-10(17(19)20)1-4-14(9)24-15/h1-7H,8H2