3-[3-methyl-1-(3-oxidanidylpyrimidin-3-ium-4-yl)but-2-enyl]-4-oxidanyl-benzenecarbonitrile

Systemtic Name: 3-[3-methyl-1-(3-oxidanidylpyrimidin-3-ium-4-yl)but-2-enyl]-4-oxidanyl-benzenecarbonitrile Openeye Name: 4-hydroxy-3-[3-methyl-1-(3-oxidopyrimidin-3-ium-4-yl)but-2-enyl]benzonitrile CAS Name: 4-hydroxy-3-[3-methyl-1-(3-oxido-4-pyrimidin-3-iumyl)but-2-enyl]benzonitrile IUPAC Name: 4-hydroxy-3-[3-methyl-1-(3-oxidopyrimidin-3-ium-4-yl)but-2-enyl]benzonitrile Traditional Name: 4-hydroxy-3-[3-methyl-1-(3-oxidopyrimidin-3-ium-4-yl)but-2-enyl]benzonitrile Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(C1=[N+](C=NC=C1)[O-])C2=C(C=CC(=C2)C#N)O)C

Isomeric SMILES

CC(=CC(C1=[N+](C=NC=C1)[O-])C2=C(C=CC(=C2)C#N)O)C

InChI

InChI=1S/C16H15N3O2/c1-11(2)7-13(15-5-6-18-10-19(15)21)14-8-12(9-17)3-4-16(14)20/h3-8,10,13,20H,1-2H3