4-[1-(4-chlorophenyl)-3-ethyl-5-oxidanylidene-pyrazol-4-ylidene]-1-(4-methylphenyl)-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate

Systemtic Name: 4-[1-(4-chlorophenyl)-3-ethyl-5-oxidanylidene-pyrazol-4-ylidene]-1-(4-methylphenyl)-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: 4-[1-(4-chlorophenyl)-3-ethyl-5-oxo-pyrazol-4-ylidene]-5-oxo-1-(p-tolyl)-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: 4-[1-(4-chlorophenyl)-3-ethyl-5-oxo-4-pyrazolylidene]-1-(4-methylphenyl)-5-oxo-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: 4-[1-(4-chlorophenyl)-3-ethyl-5-oxopyrazol-4-ylidene]-1-(4-methylphenyl)-5-oxo-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: 4-[1-(4-chlorophenyl)-3-ethyl-5-keto-2-pyrazolin-4-ylidene]-5-keto-1-(p-tolyl)-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C27H21ClN4O3 MolecularWeight: 484.93364

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC=C(C=C3)C)[O-])[N+]4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC=C(C=C3)C)[O-])[N+]4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

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