3-[[2-[(E)-2-(2-nitrophenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[2-[(E)-2-(2-nitrophenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid Openeye Name: 3-[[2-[(E)-2-(2-nitrophenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoic acid CAS Name: 3-[[2-[(E)-2-(2-nitrophenyl)ethenyl]-1-pyridin-1-iumyl]methyl]benzoic acid IUPAC Name: 3-[[2-[(E)-2-(2-nitrophenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoic acid Traditional Name: 3-[[2-[(E)-2-(2-nitrophenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoic acid Formula: C21H17N2O4+ MolecularWeight: 361.37068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC2=CC=CC=[N+]2CC3=CC=CC(=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/C2=CC=CC=[N+]2CC3=CC=CC(=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O4/c24-21(25)18-8-5-6-16(14-18)15-22-13-4-3-9-19(22)12-11-17-7-1-2-10-20(17)23(26)27/h1-14H,15H2/p+1/b12-11+