1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-nitro-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 1-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-nitro-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-nitro-2-oxo-pyridine-3-carbonitrile CAS Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-nitro-2-oxo-3-pyridinecarbonitrile IUPAC Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-nitro-2-oxopyridine-3-carbonitrile Traditional Name: 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-keto-5-nitro-nicotinonitrile Formula: C16H12ClN3O5 MolecularWeight: 361.73658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN3O5/c17-13-4-10(5-14-15(13)25-3-1-2-24-14)8-19-9-12(20(22)23)6-11(7-18)16(19)21/h4-6,9H,1-3,8H2