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

Systemtic Name: 1-(3-chlorophenyl)-3-(3-ethylpyridin-1-ium-1-yl)-4-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Openeye Name: 1-(3-chlorophenyl)-3-(3-ethylpyridin-1-ium-1-yl)-4-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione CAS Name: 1-(3-chlorophenyl)-3-(3-ethyl-1-pyridin-1-iumyl)-4-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione IUPAC Name: 1-(3-chlorophenyl)-3-(3-ethylpyridin-1-ium-1-yl)-4-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Traditional Name: 1-(3-chlorophenyl)-3-(3-ethylpyridin-1-ium-1-yl)-4-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)-3-pyrroline-2,5-quinone Formula: C27H22ClN4O3+ MolecularWeight: 485.94158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21ClN4O3/c1-3-18-9-8-14-30(16-18)24-23(25(33)31(27(24)35)21-13-7-10-19(28)15-21)22-17(2)29-32(26(22)34)20-11-5-4-6-12-20/h4-16H,3H2,1-2H3/p+1