1-(3-chlorophenyl)-4-[1-(2,4-dimethylphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate

Systemtic Name: 1-(3-chlorophenyl)-4-[1-(2,4-dimethylphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: 1-(3-chlorophenyl)-4-[1-(2,4-dimethylphenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]-5-oxo-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: 1-(3-chlorophenyl)-4-[1-(2,4-dimethylphenyl)-3-methyl-5-oxo-4-pyrazolylidene]-5-oxo-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: 1-(3-chlorophenyl)-4-[1-(2,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]-5-oxo-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: 1-(3-chlorophenyl)-4-[1-(2,4-dimethylphenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]-5-keto-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C27H21ClN4O3 MolecularWeight: 484.93364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C(=C3C(=C(N(C3=O)C4=CC(=CC=C4)Cl)[O-])[N+]5=CC=CC=C5)C(=N2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C(=C3C(=C(N(C3=O)C4=CC(=CC=C4)Cl)[O-])[N+]5=CC=CC=C5)C(=N2)C)C

InChI

InChI=1S/C27H21ClN4O3/c1-16-10-11-21(17(2)14-16)32-26(34)22(18(3)29-32)23-24(30-12-5-4-6-13-30)27(35)31(25(23)33)20-9-7-8-19(28)15-20/h4-15H,1-3H3