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

Systemtic Name: (4E)-1-(3-methylphenyl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propyl-pyrazol-4-ylidene)-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: (4E)-1-(m-tolyl)-5-oxo-4-(5-oxo-1-phenyl-3-propyl-pyrazol-4-ylidene)-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: (4E)-1-(3-methylphenyl)-5-oxo-4-(5-oxo-1-phenyl-3-propyl-4-pyrazolylidene)-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-1-(3-methylphenyl)-5-oxo-4-(5-oxo-1-phenyl-3-propylpyrazol-4-ylidene)-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: (4E)-5-keto-4-(5-keto-1-phenyl-3-propyl-2-pyrazolin-4-ylidene)-1-(m-tolyl)-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C28H24N4O3 MolecularWeight: 464.51516

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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)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)C5=CC=CC=C5

InChI

InChI=1S/C28H24N4O3/c1-3-11-22-23(27(34)32(29-22)20-13-6-4-7-14-20)24-25(30-16-8-5-9-17-30)28(35)31(26(24)33)21-15-10-12-19(2)18-21/h4-10,12-18H,3,11H2,1-2H3