4-(1-methyl-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene)-3-(4-methylpyridin-1-ium-1-yl)-5-oxidanylidene-1-(oxolan-2-ylmethyl)pyrrol-2-olate

Systemtic Name: 4-(1-methyl-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene)-3-(4-methylpyridin-1-ium-1-yl)-5-oxidanylidene-1-(oxolan-2-ylmethyl)pyrrol-2-olate Openeye Name: 4-(1-methyl-5-oxo-3-phenyl-pyrazol-4-ylidene)-3-(4-methylpyridin-1-ium-1-yl)-5-oxo-1-(tetrahydrofuran-2-ylmethyl)pyrrol-2-olate CAS Name: 4-(1-methyl-5-oxo-3-phenyl-4-pyrazolylidene)-3-(4-methyl-1-pyridin-1-iumyl)-5-oxo-1-(2-oxolanylmethyl)-2-pyrrololate IUPAC Name: 4-(1-methyl-5-oxo-3-phenylpyrazol-4-ylidene)-3-(4-methylpyridin-1-ium-1-yl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrol-2-olate Traditional Name: 5-keto-4-(5-keto-1-methyl-3-phenyl-2-pyrazolin-4-ylidene)-3-(4-methylpyridin-1-ium-1-yl)-1-(tetrahydrofurfuryl)-2-pyrrolin-2-olate Formula: C25H24N4O4 MolecularWeight: 444.48246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C)C4=CC=CC=C4)CC5CCCO5)[O-]

Isomeric SMILES

CC1=CC=[N+](C=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C)C4=CC=CC=C4)CC5CCCO5)[O-]

InChI

InChI=1S/C25H24N4O4/c1-16-10-12-28(13-11-16)22-20(24(31)29(25(22)32)15-18-9-6-14-33-18)19-21(26-27(2)23(19)30)17-7-4-3-5-8-17/h3-5,7-8,10-13,18H,6,9,14-15H2,1-2H3