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

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 5-nitrothiophene-2-carboxylate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C14H10ClNO6S MolecularWeight: 355.7503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10ClNO6S/c15-10-3-8-5-20-7-22-13(8)9(4-10)6-21-14(17)11-1-2-12(23-11)16(18)19/h1-4H,5-7H2