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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-bromanylthiophene-2-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-bromothiophene-2-carboxylate CAS Name: 5-bromo-2-thiophenecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-bromothiophene-2-carboxylate Traditional Name: 5-bromothiophene-2-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C14H10BrNO6S MolecularWeight: 400.2013

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10BrNO6S/c15-12-2-1-11(23-12)14(17)21-6-9-4-10(16(18)19)3-8-5-20-7-22-13(8)9/h1-4H,5-7H2