1-(4-methoxyphenyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propyl-pyrazol-4-ylidene)pyrrol-2-olate

Systemtic Name: 1-(4-methoxyphenyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propyl-pyrazol-4-ylidene)pyrrol-2-olate Openeye Name: 1-(4-methoxyphenyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-4-(5-oxo-1-phenyl-3-propyl-pyrazol-4-ylidene)pyrrol-2-olate CAS Name: 1-(4-methoxyphenyl)-3-(3-methyl-1-pyridin-1-iumyl)-5-oxo-4-(5-oxo-1-phenyl-3-propyl-4-pyrazolylidene)-2-pyrrololate IUPAC Name: 1-(4-methoxyphenyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-4-(5-oxo-1-phenyl-3-propylpyrazol-4-ylidene)pyrrol-2-olate Traditional Name: 5-keto-4-(5-keto-1-phenyl-3-propyl-2-pyrazolin-4-ylidene)-1-(4-methoxyphenyl)-3-(3-methylpyridin-1-ium-1-yl)-2-pyrrolin-2-olate Formula: C29H26N4O4 MolecularWeight: 494.54114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H26N4O4/c1-4-9-23-24(28(35)33(30-23)21-11-6-5-7-12-21)25-26(31-17-8-10-19(2)18-31)29(36)32(27(25)34)20-13-15-22(37-3)16-14-20/h5-8,10-18H,4,9H2,1-3H3