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

Systemtic Name: 1,4,4-trimethyl-3,5-bis[(E)-2-(3-nitrophenyl)ethenyl]pyrazol-1-ium iodide Openeye Name: 1,4,4-trimethyl-3,5-bis[(E)-2-(3-nitrophenyl)vinyl]pyrazol-1-ium iodide CAS Name: 1,4,4-trimethyl-3,5-bis[(E)-2-(3-nitrophenyl)ethenyl]pyrazol-1-ium iodide IUPAC Name: 1,4,4-trimethyl-3,5-bis[(E)-2-(3-nitrophenyl)ethenyl]pyrazol-1-ium iodide Traditional Name: 1,4,4-trimethyl-3,5-bis[(E)-2-(3-nitrophenyl)vinyl]pyrazol-1-ium iodide Formula: C22H21IN4O4 MolecularWeight: 532.33101

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=N[N+](=C1C=CC2=CC(=CC=C2)[N+](=O)[O-])C)C=CC3=CC(=CC=C3)[N+](=O)[O-])C.[I-]

Isomeric SMILES

CC1(C(=N[N+](=C1/C=C/C2=CC(=CC=C2)[N+](=O)[O-])C)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])C.[I-]

InChI

InChI=1S/C22H21N4O4.HI/c1-22(2)20(12-10-16-6-4-8-18(14-16)25(27)28)23-24(3)21(22)13-11-17-7-5-9-19(15-17)26(29)30;/h4-15H,1-3H3;1H/q+1;/p-1/b12-10+,13-11+;