3-(3,5-dimethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propyl-pyrazol-4-ylidene)pyrrol-2-olate

Systemtic Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propyl-pyrazol-4-ylidene)pyrrol-2-olate Openeye Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-1-(m-tolyl)-5-oxo-4-(5-oxo-1-phenyl-3-propyl-pyrazol-4-ylidene)pyrrol-2-olate CAS Name: 3-(3,5-dimethyl-1-pyridin-1-iumyl)-1-(3-methylphenyl)-5-oxo-4-(5-oxo-1-phenyl-3-propyl-4-pyrazolylidene)-2-pyrrololate IUPAC Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-5-oxo-4-(5-oxo-1-phenyl-3-propylpyrazol-4-ylidene)pyrrol-2-olate Traditional Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-5-keto-4-(5-keto-1-phenyl-3-propyl-2-pyrazolin-4-ylidene)-1-(m-tolyl)-2-pyrrolin-2-olate Formula: C30H28N4O3 MolecularWeight: 492.56832

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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)C)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C30H28N4O3/c1-5-10-24-25(29(36)34(31-24)22-12-7-6-8-13-22)26-27(32-17-20(3)15-21(4)18-32)30(37)33(28(26)35)23-14-9-11-19(2)16-23/h6-9,11-18H,5,10H2,1-4H3