2-(3-cyano-5-nitro-2-oxidanylidene-pyridin-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide

Systemtic Name: 2-(3-cyano-5-nitro-2-oxidanylidene-pyridin-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-(3-cyano-5-nitro-2-oxo-1-pyridyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-(3-cyano-5-nitro-2-oxopyridin-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-(3-cyano-2-keto-5-nitro-1-pyridyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C17H14N4O6 MolecularWeight: 370.31626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O6/c18-8-11-6-13(21(24)25)9-20(17(11)23)10-16(22)19-12-2-3-14-15(7-12)27-5-1-4-26-14/h2-3,6-7,9H,1,4-5,10H2,(H,19,22)