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

Systemtic Name: 3-(5-ethyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-4-(3-ethylpyridin-1-ium-1-yl)-1-(4-methoxyphenyl)pyrrole-2,5-dione Openeye Name: 3-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-(3-ethylpyridin-1-ium-1-yl)-1-(4-methoxyphenyl)pyrrole-2,5-dione CAS Name: 3-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-(3-ethyl-1-pyridin-1-iumyl)-1-(4-methoxyphenyl)pyrrole-2,5-dione IUPAC Name: 3-(5-ethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-(3-ethylpyridin-1-ium-1-yl)-1-(4-methoxyphenyl)pyrrole-2,5-dione Traditional Name: 3-(3-ethyl-5-keto-1-phenyl-3-pyrazolin-4-yl)-4-(3-ethylpyridin-1-ium-1-yl)-1-(4-methoxyphenyl)-3-pyrroline-2,5-quinone Formula: C29H27N4O4+ MolecularWeight: 495.54908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H26N4O4/c1-4-19-10-9-17-31(18-19)26-25(27(34)32(29(26)36)20-13-15-22(37-3)16-14-20)24-23(5-2)30-33(28(24)35)21-11-7-6-8-12-21/h6-18H,4-5H2,1-3H3/p+1