(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 5-nitrothiophene-2-carboxylate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 5-nitrothiophene-2-carboxylate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C14H10BrNO6S MolecularWeight: 400.2013

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

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