ethyl 1-[[3-[2,3-bis(oxidanylidene)-1H-pyrazol-2-ium-5-yl]-4-phenyl-phenyl]methyl]-5-butyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 1-[[3-[2,3-bis(oxidanylidene)-1H-pyrazol-2-ium-5-yl]-4-phenyl-phenyl]methyl]-5-butyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-butyl-1-[[3-(2,3-dioxo-1H-pyrazol-2-ium-5-yl)-4-phenyl-phenyl]methyl]pyrazole-3-carboxylate CAS Name: 5-butyl-1-[[3-(2,3-dioxo-1H-pyrazol-2-ium-5-yl)-4-phenylphenyl]methyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-butyl-1-[[3-(2,3-dioxo-1H-pyrazol-2-ium-5-yl)-4-phenylphenyl]methyl]pyrazole-3-carboxylate Traditional Name: 5-butyl-1-[3-(1,5-diketo-3-pyrazolin-1-ium-3-yl)-4-phenyl-benzyl]pyrazole-3-carboxylic acid ethyl ester Formula: C26H27N4O4+ MolecularWeight: 459.51698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=NN1CC2=CC(=C(C=C2)C3=CC=CC=C3)C4=CC(=O)[N+](=O)N4)C(=O)OCC

Isomeric SMILES

CCCCC1=CC(=NN1CC2=CC(=C(C=C2)C3=CC=CC=C3)C4=CC(=O)[N+](=O)N4)C(=O)OCC

InChI

InChI=1S/C26H26N4O4/c1-3-5-11-20-15-24(26(32)34-4-2)27-29(20)17-18-12-13-21(19-9-7-6-8-10-19)22(14-18)23-16-25(31)30(33)28-23/h6-10,12-16H,3-5,11,17H2,1-2H3/p+1