4-[2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethanoyl]benzenecarbonitrile Openeye Name: 4-[2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]acetyl]benzonitrile CAS Name: 4-[2-[4-[(4-nitrophenyl)methyl]-1-pyridin-1-iumyl]-1-oxoethyl]benzonitrile IUPAC Name: 4-[2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]acetyl]benzonitrile Traditional Name: 4-[2-[4-(4-nitrobenzyl)pyridin-1-ium-1-yl]acetyl]benzonitrile Formula: C21H16N3O3+ MolecularWeight: 358.37004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H16N3O3/c22-14-18-1-5-19(6-2-18)21(25)15-23-11-9-17(10-12-23)13-16-3-7-20(8-4-16)24(26)27/h1-12H,13,15H2/q+1