2-[4-nitro-3-(1-oxidanylbut-3-enyl)phenoxy]ethanenitrile

Systemtic Name: 2-[4-nitro-3-(1-oxidanylbut-3-enyl)phenoxy]ethanenitrile Openeye Name: 2-[3-(1-hydroxybut-3-enyl)-4-nitro-phenoxy]acetonitrile CAS Name: 2-[3-(1-hydroxybut-3-enyl)-4-nitrophenoxy]acetonitrile IUPAC Name: 2-[3-(1-hydroxybut-3-enyl)-4-nitrophenoxy]acetonitrile Traditional Name: 2-[3-(1-hydroxybut-3-enyl)-4-nitro-phenoxy]acetonitrile Formula: C12H12N2O4 MolecularWeight: 248.23468

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C1=C(C=CC(=C1)OCC#N)[N+](=O)[O-])O

Isomeric SMILES

C=CCC(C1=C(C=CC(=C1)OCC#N)[N+](=O)[O-])O

InChI

InChI=1S/C12H12N2O4/c1-2-3-12(15)10-8-9(18-7-6-13)4-5-11(10)14(16)17/h2,4-5,8,12,15H,1,3,7H2