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

Systemtic Name: (4E)-3-(3-ethylpyridin-1-ium-1-yl)-4-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-5-oxidanylidene-1-(phenylmethyl)pyrrol-2-olate Openeye Name: (4E)-1-benzyl-3-(3-ethylpyridin-1-ium-1-yl)-4-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-5-oxo-pyrrol-2-olate CAS Name: (4E)-3-(3-ethyl-1-pyridin-1-iumyl)-4-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)-5-oxo-1-(phenylmethyl)-2-pyrrololate IUPAC Name: (4E)-1-benzyl-3-(3-ethylpyridin-1-ium-1-yl)-4-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-5-oxopyrrol-2-olate Traditional Name: (4E)-1-benzyl-3-(3-ethylpyridin-1-ium-1-yl)-5-keto-4-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)-2-pyrrolin-2-olate Formula: C28H24N4O3 MolecularWeight: 464.51516

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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)C4=CC=CC=C4)C)CC5=CC=CC=C5)[O-]

Isomeric SMILES

CCC1=C[N+](=CC=C1)C\2=C(N(C(=O)/C2=C/3\C(=NN(C3=O)C4=CC=CC=C4)C)CC5=CC=CC=C5)[O-]

InChI

InChI=1S/C28H24N4O3/c1-3-20-13-10-16-30(17-20)25-24(26(33)31(28(25)35)18-21-11-6-4-7-12-21)23-19(2)29-32(27(23)34)22-14-8-5-9-15-22/h4-17H,3,18H2,1-2H3