N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-5-nitro-thiophene-2-carboxamide

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-5-nitro-thiophene-2-carboxamide Openeye Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-5-nitro-thiophene-2-carboxamide CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-5-nitro-2-thiophenecarboxamide IUPAC Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-5-nitrothiophene-2-carboxamide Traditional Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-5-nitro-thiophene-2-carboxamide Formula: C14H11ClN2O5S MolecularWeight: 354.76554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11ClN2O5S/c15-8-6-10-11(22-5-1-4-21-10)7-9(8)16-14(18)12-2-3-13(23-12)17(19)20/h2-3,6-7H,1,4-5H2,(H,16,18)