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

Systemtic Name: 3-(4-ethylpyridin-1-ium-1-yl)-4-(1-methyl-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene)-5-oxidanylidene-1-(phenylmethyl)pyrrol-2-olate Openeye Name: 1-benzyl-3-(4-ethylpyridin-1-ium-1-yl)-4-(1-methyl-5-oxo-3-phenyl-pyrazol-4-ylidene)-5-oxo-pyrrol-2-olate CAS Name: 3-(4-ethyl-1-pyridin-1-iumyl)-4-(1-methyl-5-oxo-3-phenyl-4-pyrazolylidene)-5-oxo-1-(phenylmethyl)-2-pyrrololate IUPAC Name: 1-benzyl-3-(4-ethylpyridin-1-ium-1-yl)-4-(1-methyl-5-oxo-3-phenylpyrazol-4-ylidene)-5-oxopyrrol-2-olate Traditional Name: 1-benzyl-3-(4-ethylpyridin-1-ium-1-yl)-5-keto-4-(5-keto-1-methyl-3-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=CC=[N+](C=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C)C4=CC=CC=C4)CC5=CC=CC=C5)[O-]

Isomeric SMILES

CCC1=CC=[N+](C=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C)C4=CC=CC=C4)CC5=CC=CC=C5)[O-]

InChI

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