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

Systemtic Name: (4E)-1-(3-methylphenyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propyl-pyrazol-4-ylidene)pyrrol-2-olate Openeye Name: (4E)-3-(3-methylpyridin-1-ium-1-yl)-1-(m-tolyl)-5-oxo-4-(5-oxo-1-phenyl-3-propyl-pyrazol-4-ylidene)pyrrol-2-olate CAS Name: (4E)-1-(3-methylphenyl)-3-(3-methyl-1-pyridin-1-iumyl)-5-oxo-4-(5-oxo-1-phenyl-3-propyl-4-pyrazolylidene)-2-pyrrololate IUPAC Name: (4E)-1-(3-methylphenyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-4-(5-oxo-1-phenyl-3-propylpyrazol-4-ylidene)pyrrol-2-olate Traditional Name: (4E)-5-keto-4-(5-keto-1-phenyl-3-propyl-2-pyrazolin-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-1-(m-tolyl)-2-pyrrolin-2-olate Formula: C29H26N4O3 MolecularWeight: 478.54174

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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=CC=CC=C5

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/2\C(=C(N(C2=O)C3=CC=CC(=C3)C)[O-])[N+]4=CC=CC(=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C29H26N4O3/c1-4-10-23-24(28(35)33(30-23)21-13-6-5-7-14-21)25-26(31-16-9-12-20(3)18-31)29(36)32(27(25)34)22-15-8-11-19(2)17-22/h5-9,11-18H,4,10H2,1-3H3