4-[(2S)-3-(5-nitro-2-oxidanylidene-pyridin-1-yl)-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[(2S)-3-(5-nitro-2-oxidanylidene-pyridin-1-yl)-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[(2S)-2-hydroxy-3-(5-nitro-2-oxo-1-pyridyl)propoxy]benzonitrile CAS Name: 4-[(2S)-2-hydroxy-3-(5-nitro-2-oxo-1-pyridinyl)propoxy]benzonitrile IUPAC Name: 4-[(2S)-2-hydroxy-3-(5-nitro-2-oxopyridin-1-yl)propoxy]benzonitrile Traditional Name: 4-[(2S)-2-hydroxy-3-(2-keto-5-nitro-1-pyridyl)propoxy]benzonitrile Formula: C15H13N3O5 MolecularWeight: 315.28082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)OCC(CN2C=C(C=CC2=O)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=CC=C1C#N)OC[C@H](CN2C=C(C=CC2=O)[N+](=O)[O-])O

InChI

InChI=1S/C15H13N3O5/c16-7-11-1-4-14(5-2-11)23-10-13(19)9-17-8-12(18(21)22)3-6-15(17)20/h1-6,8,13,19H,9-10H2/t13-/m0/s1