4-[(Z)-1-azanyloxy-2-(1,3-benzodioxol-5-yl)-3-oxidanylidene-but-1-enyl]benzenecarbonitrile

Systemtic Name: 4-[(Z)-1-azanyloxy-2-(1,3-benzodioxol-5-yl)-3-oxidanylidene-but-1-enyl]benzenecarbonitrile Openeye Name: 4-[(Z)-1-aminooxy-2-(1,3-benzodioxol-5-yl)-3-oxo-but-1-enyl]benzonitrile CAS Name: 4-[(Z)-1-aminooxy-2-(1,3-benzodioxol-5-yl)-3-oxobut-1-enyl]benzonitrile IUPAC Name: 4-[(Z)-1-aminooxy-2-(1,3-benzodioxol-5-yl)-3-oxobut-1-enyl]benzonitrile Traditional Name: 4-[(Z)-1-aminooxy-2-(1,3-benzodioxol-5-yl)-3-keto-but-1-enyl]benzonitrile Formula: C18H14N2O4 MolecularWeight: 322.31476

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(C1=CC=C(C=C1)C#N)ON)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(=O)/C(=C(/C1=CC=C(C=C1)C#N)\ON)/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H14N2O4/c1-11(21)17(14-6-7-15-16(8-14)23-10-22-15)18(24-20)13-4-2-12(9-19)3-5-13/h2-8H,10,20H2,1H3/b18-17+