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

Systemtic Name: 4-[2-(2-methyl-4-nitro-pyridin-1-ium-1-yl)ethanoyl]benzenecarbonitrile bromide Openeye Name: 4-[2-(2-methyl-4-nitro-pyridin-1-ium-1-yl)acetyl]benzonitrile bromide CAS Name: 4-[2-(2-methyl-4-nitro-1-pyridin-1-iumyl)-1-oxoethyl]benzonitrile bromide IUPAC Name: 4-[2-(2-methyl-4-nitropyridin-1-ium-1-yl)acetyl]benzonitrile bromide Traditional Name: 4-[2-(2-methyl-4-nitro-pyridin-1-ium-1-yl)acetyl]benzonitrile bromide Formula: C15H12BrN3O3 MolecularWeight: 362.17808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CC(=C1)[N+](=O)[O-])CC(=O)C2=CC=C(C=C2)C#N.[Br-]

Isomeric SMILES

CC1=[N+](C=CC(=C1)[N+](=O)[O-])CC(=O)C2=CC=C(C=C2)C#N.[Br-]

InChI

InChI=1S/C15H12N3O3.BrH/c1-11-8-14(18(20)21)6-7-17(11)10-15(19)13-4-2-12(9-16)3-5-13;/h2-8H,10H2,1H3;1H/q+1;/p-1