1,4,4-trimethyl-5-[(E)-2-(3-nitrophenyl)ethenyl]-3-phenyl-pyrazol-1-ium iodide

Systemtic Name: 1,4,4-trimethyl-5-[(E)-2-(3-nitrophenyl)ethenyl]-3-phenyl-pyrazol-1-ium iodide Openeye Name: 1,4,4-trimethyl-5-[(E)-2-(3-nitrophenyl)vinyl]-3-phenyl-pyrazol-1-ium iodide CAS Name: 1,4,4-trimethyl-5-[(E)-2-(3-nitrophenyl)ethenyl]-3-phenylpyrazol-1-ium iodide IUPAC Name: 1,4,4-trimethyl-5-[(E)-2-(3-nitrophenyl)ethenyl]-3-phenylpyrazol-1-ium iodide Traditional Name: 1,4,4-trimethyl-5-[(E)-2-(3-nitrophenyl)vinyl]-3-phenyl-pyrazol-1-ium iodide Formula: C20H20IN3O2 MolecularWeight: 461.29617

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=[N+](N=C1C2=CC=CC=C2)C)C=CC3=CC(=CC=C3)[N+](=O)[O-])C.[I-]

Isomeric SMILES

CC1(C(=[N+](N=C1C2=CC=CC=C2)C)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])C.[I-]

InChI

InChI=1S/C20H20N3O2.HI/c1-20(2)18(13-12-15-8-7-11-17(14-15)23(24)25)22(3)21-19(20)16-9-5-4-6-10-16;/h4-14H,1-3H3;1H/q+1;/p-1/b13-12+;