(4E)-4-[1-(4-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]-3-(4-methylpyridin-1-ium-1-yl)-5-oxidanylidene-1-propan-2-yl-pyrrol-2-olate

Systemtic Name: (4E)-4-[1-(4-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]-3-(4-methylpyridin-1-ium-1-yl)-5-oxidanylidene-1-propan-2-yl-pyrrol-2-olate Openeye Name: (4E)-4-[1-(4-chlorophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]-1-isopropyl-3-(4-methylpyridin-1-ium-1-yl)-5-oxo-pyrrol-2-olate CAS Name: (4E)-4-[1-(4-chlorophenyl)-3-methyl-5-oxo-4-pyrazolylidene]-3-(4-methyl-1-pyridin-1-iumyl)-5-oxo-1-propan-2-yl-2-pyrrololate IUPAC Name: (4E)-4-[1-(4-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]-3-(4-methylpyridin-1-ium-1-yl)-5-oxo-1-propan-2-ylpyrrol-2-olate Traditional Name: (4E)-4-[1-(4-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]-1-isopropyl-5-keto-3-(4-methylpyridin-1-ium-1-yl)-2-pyrrolin-2-olate Formula: C23H21ClN4O3 MolecularWeight: 436.89084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=[N+](C=C1)C\2=C(N(C(=O)/C2=C/3\C(=NN(C3=O)C4=CC=C(C=C4)Cl)C)C(C)C)[O-]

InChI

InChI=1S/C23H21ClN4O3/c1-13(2)27-21(29)19(20(23(27)31)26-11-9-14(3)10-12-26)18-15(4)25-28(22(18)30)17-7-5-16(24)6-8-17/h5-13H,1-4H3