4-[(E)-2-methyl-4-(3-oxidanidylpyrimidin-3-ium-4-yl)but-3-en-2-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[(E)-2-methyl-4-(3-oxidanidylpyrimidin-3-ium-4-yl)but-3-en-2-yl]oxybenzenecarbonitrile Openeye Name: 4-[(E)-1,1-dimethyl-3-(3-oxidopyrimidin-3-ium-4-yl)allyloxy]benzonitrile CAS Name: 4-[(E)-2-methyl-4-(3-oxido-4-pyrimidin-3-iumyl)but-3-en-2-yl]oxybenzonitrile IUPAC Name: 4-[(E)-2-methyl-4-(3-oxidopyrimidin-3-ium-4-yl)but-3-en-2-yl]oxybenzonitrile Traditional Name: 4-[(E)-1,1-dimethyl-3-(3-oxidopyrimidin-3-ium-4-yl)allyloxy]benzonitrile Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=CC1=[N+](C=NC=C1)[O-])OC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)(/C=C/C1=[N+](C=NC=C1)[O-])OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H15N3O2/c1-16(2,9-7-14-8-10-18-12-19(14)20)21-15-5-3-13(11-17)4-6-15/h3-10,12H,1-2H3/b9-7+