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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=CC=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C)C4=CC=CC=C4)C5=CC=C(C=C5)OC)[O-]

Isomeric SMILES

CCC1=C[N+](=CC=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C)C4=CC=CC=C4)C5=CC=C(C=C5)OC)[O-]

InChI

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