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

Systemtic Name: 1-(3-chlorophenyl)-4-(1-methyl-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene)-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: 1-(3-chlorophenyl)-4-(1-methyl-5-oxo-3-phenyl-pyrazol-4-ylidene)-5-oxo-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: 1-(3-chlorophenyl)-4-(1-methyl-5-oxo-3-phenyl-4-pyrazolylidene)-5-oxo-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: 1-(3-chlorophenyl)-4-(1-methyl-5-oxo-3-phenylpyrazol-4-ylidene)-5-oxo-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: 1-(3-chlorophenyl)-5-keto-4-(5-keto-1-methyl-3-phenyl-2-pyrazolin-4-ylidene)-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C25H17ClN4O3 MolecularWeight: 456.88048

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C2C(=C(N(C2=O)C3=CC(=CC=C3)Cl)[O-])[N+]4=CC=CC=C4)C(=N1)C5=CC=CC=C5

Isomeric SMILES

CN1C(=O)C(=C2C(=C(N(C2=O)C3=CC(=CC=C3)Cl)[O-])[N+]4=CC=CC=C4)C(=N1)C5=CC=CC=C5

InChI

InChI=1S/C25H17ClN4O3/c1-28-23(31)19(21(27-28)16-9-4-2-5-10-16)20-22(29-13-6-3-7-14-29)25(33)30(24(20)32)18-12-8-11-17(26)15-18/h2-15H,1H3