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

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 5-nitrothiophene-2-carboxylate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C15H12ClNO6S MolecularWeight: 369.77688

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)COC(=O)C3=CC=C(S3)[N+](=O)[O-])Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)COC(=O)C3=CC=C(S3)[N+](=O)[O-])Cl)OC1

InChI

InChI=1S/C15H12ClNO6S/c16-10-6-9(7-11-14(10)22-5-1-4-21-11)8-23-15(18)12-2-3-13(24-12)17(19)20/h2-3,6-7H,1,4-5,8H2