4-(3-ethyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-1-(4-methoxyphenyl)-3-(4-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate

Systemtic Name: 4-(3-ethyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-1-(4-methoxyphenyl)-3-(4-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate Openeye Name: 4-(3-ethyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-1-(4-methoxyphenyl)-3-(4-methylpyridin-1-ium-1-yl)-5-oxo-pyrrol-2-olate CAS Name: 4-(3-ethyl-5-oxo-1-phenyl-4-pyrazolylidene)-1-(4-methoxyphenyl)-3-(4-methyl-1-pyridin-1-iumyl)-5-oxo-2-pyrrololate IUPAC Name: 4-(3-ethyl-5-oxo-1-phenylpyrazol-4-ylidene)-1-(4-methoxyphenyl)-3-(4-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate Traditional Name: 4-(3-ethyl-5-keto-1-phenyl-2-pyrazolin-4-ylidene)-5-keto-1-(4-methoxyphenyl)-3-(4-methylpyridin-1-ium-1-yl)-2-pyrrolin-2-olate Formula: C28H24N4O4 MolecularWeight: 480.51456

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC=C(C=C3)OC)[O-])[N+]4=CC=C(C=C4)C)C5=CC=CC=C5

Isomeric SMILES

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC=C(C=C3)OC)[O-])[N+]4=CC=C(C=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C28H24N4O4/c1-4-22-23(27(34)32(29-22)20-8-6-5-7-9-20)24-25(30-16-14-18(2)15-17-30)28(35)31(26(24)33)19-10-12-21(36-3)13-11-19/h5-17H,4H2,1-3H3