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

Systemtic Name: 1-(3-chlorophenyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propan-2-yl-pyrazol-4-ylidene)pyrrol-2-olate Openeye Name: 1-(3-chlorophenyl)-4-(3-isopropyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-pyrrol-2-olate CAS Name: 1-(3-chlorophenyl)-3-(3-methyl-1-pyridin-1-iumyl)-5-oxo-4-(5-oxo-1-phenyl-3-propan-2-yl-4-pyrazolylidene)-2-pyrrololate IUPAC Name: 1-(3-chlorophenyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-4-(5-oxo-1-phenyl-3-propan-2-ylpyrazol-4-ylidene)pyrrol-2-olate Traditional Name: 1-(3-chlorophenyl)-4-(3-isopropyl-5-keto-1-phenyl-2-pyrazolin-4-ylidene)-5-keto-3-(3-methylpyridin-1-ium-1-yl)-2-pyrrolin-2-olate Formula: C28H23ClN4O3 MolecularWeight: 498.96022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=CC=C4)C(C)C)C5=CC(=CC=C5)Cl)[O-]

Isomeric SMILES

CC1=C[N+](=CC=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=CC=C4)C(C)C)C5=CC(=CC=C5)Cl)[O-]

InChI

InChI=1S/C28H23ClN4O3/c1-17(2)24-22(27(35)33(30-24)20-11-5-4-6-12-20)23-25(31-14-8-9-18(3)16-31)28(36)32(26(23)34)21-13-7-10-19(29)15-21/h4-17H,1-3H3