N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(4-nitropyrazol-1-yl)ethanamide

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(4-nitropyrazol-1-yl)ethanamide Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(4-nitropyrazol-1-yl)acetamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(4-nitropyrazol-1-yl)acetamide Traditional Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(4-nitropyrazol-1-yl)acetamide Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)CN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)CN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O5/c1-11(12-3-4-14-15(7-12)25-6-2-5-24-14)18-16(21)10-19-9-13(8-17-19)20(22)23/h3-4,7-9,11H,2,5-6,10H2,1H3,(H,18,21)