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

Systemtic Name: (4E)-3-(3-ethylpyridin-1-ium-1-yl)-4-(1-methyl-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene)-5-oxidanylidene-1-propan-2-yl-pyrrol-2-olate Openeye Name: (4E)-3-(3-ethylpyridin-1-ium-1-yl)-1-isopropyl-4-(1-methyl-5-oxo-3-phenyl-pyrazol-4-ylidene)-5-oxo-pyrrol-2-olate CAS Name: (4E)-3-(3-ethyl-1-pyridin-1-iumyl)-4-(1-methyl-5-oxo-3-phenyl-4-pyrazolylidene)-5-oxo-1-propan-2-yl-2-pyrrololate IUPAC Name: (4E)-3-(3-ethylpyridin-1-ium-1-yl)-4-(1-methyl-5-oxo-3-phenylpyrazol-4-ylidene)-5-oxo-1-propan-2-ylpyrrol-2-olate Traditional Name: (4E)-3-(3-ethylpyridin-1-ium-1-yl)-1-isopropyl-5-keto-4-(5-keto-1-methyl-3-phenyl-2-pyrazolin-4-ylidene)-2-pyrrolin-2-olate Formula: C24H24N4O3 MolecularWeight: 416.47236

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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)C(C)C)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4O3/c1-5-16-10-9-13-27(14-16)21-19(23(30)28(15(2)3)24(21)31)18-20(25-26(4)22(18)29)17-11-7-6-8-12-17/h6-15H,5H2,1-4H3