1-(4-methoxyphenyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propan-2-yl-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-propan-2-yl-pyrazol-4-ylidene)pyrrol-2-olate Openeye Name: 4-(3-isopropyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-1-(4-methoxyphenyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-pyrrol-2-olate CAS Name: 1-(4-methoxyphenyl)-3-(3-methyl-1-pyridin-1-iumyl)-5-oxo-4-(5-oxo-1-phenyl-3-propan-2-yl-4-pyrazolylidene)-2-pyrrololate IUPAC Name: 1-(4-methoxyphenyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-4-(5-oxo-1-phenyl-3-propan-2-ylpyrazol-4-ylidene)pyrrol-2-olate Traditional Name: 4-(3-isopropyl-5-keto-1-phenyl-2-pyrazolin-4-ylidene)-5-keto-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:

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

Isomeric SMILES

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

InChI

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