1-(3-chlorophenyl)-3-(5-ethyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-4-(4-ethylpyridin-1-ium-1-yl)pyrrole-2,5-dione

Systemtic Name: 1-(3-chlorophenyl)-3-(5-ethyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-4-(4-ethylpyridin-1-ium-1-yl)pyrrole-2,5-dione Openeye Name: 1-(3-chlorophenyl)-3-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-(4-ethylpyridin-1-ium-1-yl)pyrrole-2,5-dione CAS Name: 1-(3-chlorophenyl)-3-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-(4-ethyl-1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 1-(3-chlorophenyl)-3-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-(4-ethylpyridin-1-ium-1-yl)pyrrole-2,5-dione Traditional Name: 1-(3-chlorophenyl)-3-(3-ethyl-5-keto-1-phenyl-3-pyrazolin-4-yl)-4-(4-ethylpyridin-1-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C28H24ClN4O3+ MolecularWeight: 499.96816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=[N+](C=C1)C2=C(C(=O)N(C2=O)C3=CC(=CC=C3)Cl)C4=C(NN(C4=O)C5=CC=CC=C5)CC

Isomeric SMILES

CCC1=CC=[N+](C=C1)C2=C(C(=O)N(C2=O)C3=CC(=CC=C3)Cl)C4=C(NN(C4=O)C5=CC=CC=C5)CC

InChI

InChI=1S/C28H23ClN4O3/c1-3-18-13-15-31(16-14-18)25-24(26(34)32(28(25)36)21-12-8-9-19(29)17-21)23-22(4-2)30-33(27(23)35)20-10-6-5-7-11-20/h5-17H,3-4H2,1-2H3/p+1