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

Systemtic Name: 1,3,4,4-tetramethyl-5-[(E)-2-(3-nitrophenyl)ethenyl]pyrazol-1-ium iodide Openeye Name: 1,3,4,4-tetramethyl-5-[(E)-2-(3-nitrophenyl)vinyl]pyrazol-1-ium iodide CAS Name: 1,3,4,4-tetramethyl-5-[(E)-2-(3-nitrophenyl)ethenyl]pyrazol-1-ium iodide IUPAC Name: 1,3,4,4-tetramethyl-5-[(E)-2-(3-nitrophenyl)ethenyl]pyrazol-1-ium iodide Traditional Name: 1,3,4,4-tetramethyl-5-[(E)-2-(3-nitrophenyl)vinyl]pyrazol-1-ium iodide Formula: C15H18IN3O2 MolecularWeight: 399.22679

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[N+](=C(C1(C)C)C=CC2=CC(=CC=C2)[N+](=O)[O-])C.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C15H18N3O2.HI/c1-11-15(2,3)14(17(4)16-11)9-8-12-6-5-7-13(10-12)18(19)20;/h5-10H,1-4H3;1H/q+1;/p-1/b9-8+;