1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl]-5-nitro-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl]-5-nitro-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl]-5-nitro-2-oxo-pyridine-3-carbonitrile CAS Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]-5-nitro-2-oxo-3-pyridinecarbonitrile IUPAC Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]-5-nitro-2-oxopyridine-3-carbonitrile Traditional Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl]-2-keto-5-nitro-nicotinonitrile Formula: C17H13N3O6 MolecularWeight: 355.30162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O6/c18-8-12-6-13(20(23)24)9-19(17(12)22)10-14(21)11-2-3-15-16(7-11)26-5-1-4-25-15/h2-3,6-7,9H,1,4-5,10H2