3-[(E)-2-[1-[(3-nitrophenyl)methyl]pyridin-1-ium-4-yl]ethenyl]phenol

Systemtic Name: 3-[(E)-2-[1-[(3-nitrophenyl)methyl]pyridin-1-ium-4-yl]ethenyl]phenol Openeye Name: 3-[(E)-2-[1-[(3-nitrophenyl)methyl]pyridin-1-ium-4-yl]vinyl]phenol CAS Name: 3-[(E)-2-[1-[(3-nitrophenyl)methyl]-4-pyridin-1-iumyl]ethenyl]phenol IUPAC Name: 3-[(E)-2-[1-[(3-nitrophenyl)methyl]pyridin-1-ium-4-yl]ethenyl]phenol Traditional Name: 3-[(E)-2-[1-(3-nitrobenzyl)pyridin-1-ium-4-yl]vinyl]phenol Formula: C20H17N2O3+ MolecularWeight: 333.36058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O3/c23-20-6-2-3-17(14-20)8-7-16-9-11-21(12-10-16)15-18-4-1-5-19(13-18)22(24)25/h1-14H,15H2/p+1/b8-7+