2-[1-ethyl-4-(4-nitrophenyl)-5-phenyl-pyrazol-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[1-ethyl-4-(4-nitrophenyl)-5-phenyl-pyrazol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-ethyl-4-(4-nitrophenyl)-5-phenyl-pyrazol-1-ium-1-yl]acetic acid CAS Name: 2-[1-ethyl-4-(4-nitrophenyl)-5-phenyl-1-pyrazol-1-iumyl]acetic acid IUPAC Name: 2-[1-ethyl-4-(4-nitrophenyl)-5-phenylpyrazol-1-ium-1-yl]acetic acid Traditional Name: 2-[1-ethyl-4-(4-nitrophenyl)-5-phenyl-pyrazol-1-ium-1-yl]acetic acid Formula: C19H18N3O4+ MolecularWeight: 352.36392

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(=C(C=N1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CC[N+]1(C(=C(C=N1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C19H17N3O4/c1-2-22(13-18(23)24)19(15-6-4-3-5-7-15)17(12-20-22)14-8-10-16(11-9-14)21(25)26/h3-12H,2,13H2,1H3/p+1