4-[1-(2,4-dimethylphenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]-1-(3-methylphenyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate

Systemtic Name: 4-[1-(2,4-dimethylphenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]-1-(3-methylphenyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate Openeye Name: 4-[1-(2,4-dimethylphenyl)-5-oxo-3-propyl-pyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-1-(m-tolyl)-5-oxo-pyrrol-2-olate CAS Name: 4-[1-(2,4-dimethylphenyl)-5-oxo-3-propyl-4-pyrazolylidene]-1-(3-methylphenyl)-3-(3-methyl-1-pyridin-1-iumyl)-5-oxo-2-pyrrololate IUPAC Name: 4-[1-(2,4-dimethylphenyl)-5-oxo-3-propylpyrazol-4-ylidene]-1-(3-methylphenyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate Traditional Name: 4-[1-(2,4-dimethylphenyl)-5-keto-3-propyl-2-pyrazolin-4-ylidene]-5-keto-3-(3-methylpyridin-1-ium-1-yl)-1-(m-tolyl)-2-pyrrolin-2-olate Formula: C31H30N4O3 MolecularWeight: 506.5949

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC=CC(=C3)C)[O-])[N+]4=CC=CC(=C4)C)C5=C(C=C(C=C5)C)C

Isomeric SMILES

CCCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC=CC(=C3)C)[O-])[N+]4=CC=CC(=C4)C)C5=C(C=C(C=C5)C)C

InChI

InChI=1S/C31H30N4O3/c1-6-9-24-26(30(37)35(32-24)25-14-13-20(3)16-22(25)5)27-28(33-15-8-11-21(4)18-33)31(38)34(29(27)36)23-12-7-10-19(2)17-23/h7-8,10-18H,6,9H2,1-5H3