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

Systemtic Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propan-2-yl-pyrazol-4-ylidene)-1-phenyl-pyrrol-2-olate Openeye Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-4-(3-isopropyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-5-oxo-1-phenyl-pyrrol-2-olate CAS Name: 3-(3,4-dimethyl-1-pyridin-1-iumyl)-5-oxo-4-(5-oxo-1-phenyl-3-propan-2-yl-4-pyrazolylidene)-1-phenyl-2-pyrrololate IUPAC Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-5-oxo-4-(5-oxo-1-phenyl-3-propan-2-ylpyrazol-4-ylidene)-1-phenylpyrrol-2-olate Traditional Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-4-(3-isopropyl-5-keto-1-phenyl-2-pyrazolin-4-ylidene)-5-keto-1-phenyl-2-pyrrolin-2-olate Formula: C29H26N4O3 MolecularWeight: 478.54174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=[N+](C=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=CC=C4)C(C)C)C5=CC=CC=C5)[O-])C

Isomeric SMILES

CC1=C(C=[N+](C=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=CC=C4)C(C)C)C5=CC=CC=C5)[O-])C

InChI

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