N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-nitroimidazol-1-yl)ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-nitroimidazol-1-yl)ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-nitroimidazol-1-yl)acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-nitro-1-imidazolyl)acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-nitroimidazol-1-yl)acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-nitroimidazol-1-yl)acetamide Formula: C14H14N4O5 MolecularWeight: 318.28476

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CN3C=C(N=C3)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CN3C=C(N=C3)[N+](=O)[O-])OC1

InChI

InChI=1S/C14H14N4O5/c19-14(8-17-7-13(15-9-17)18(20)21)16-10-2-3-11-12(6-10)23-5-1-4-22-11/h2-3,6-7,9H,1,4-5,8H2,(H,16,19)