4-[[4-[(Z)-2-(2-nitrophenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate

Systemtic Name: 4-[[4-[(Z)-2-(2-nitrophenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate Openeye Name: 4-[[4-[(Z)-2-(2-nitrophenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-[(Z)-2-(2-nitrophenyl)ethenyl]-1-pyridin-1-iumyl]methyl]benzoate IUPAC Name: 4-[[4-[(Z)-2-(2-nitrophenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-[(Z)-2-(2-nitrophenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoate Formula: C21H16N2O4 MolecularWeight: 360.36274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC2=CC=[N+](C=C2)CC3=CC=C(C=C3)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H16N2O4/c24-21(25)19-9-6-17(7-10-19)15-22-13-11-16(12-14-22)5-8-18-3-1-2-4-20(18)23(26)27/h1-14H,15H2/b8-5-