1-(3-chlorophenyl)-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-ethyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-5-oxidanylidene-pyrrol-2-olate

Systemtic Name: 1-(3-chlorophenyl)-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-ethyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-5-oxidanylidene-pyrrol-2-olate Openeye Name: 1-(3-chlorophenyl)-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-ethyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-5-oxo-pyrrol-2-olate CAS Name: 1-(3-chlorophenyl)-3-(3,5-dimethyl-1-pyridin-1-iumyl)-4-(3-ethyl-5-oxo-1-phenyl-4-pyrazolylidene)-5-oxo-2-pyrrololate IUPAC Name: 1-(3-chlorophenyl)-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-ethyl-5-oxo-1-phenylpyrazol-4-ylidene)-5-oxopyrrol-2-olate Traditional Name: 1-(3-chlorophenyl)-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-ethyl-5-keto-1-phenyl-2-pyrazolin-4-ylidene)-5-keto-2-pyrrolin-2-olate Formula: C28H23ClN4O3 MolecularWeight: 498.96022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H23ClN4O3/c1-4-22-23(27(35)33(30-22)20-10-6-5-7-11-20)24-25(31-15-17(2)13-18(3)16-31)28(36)32(26(24)34)21-12-8-9-19(29)14-21/h5-16H,4H2,1-3H3