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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C2C(=C(N(C2=O)CC(C)C)[O-])[N+]3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/2\C(=C(N(C2=O)CC(C)C)[O-])[N+]3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H21ClN4O3/c1-14(2)13-27-21(29)19(20(23(27)31)26-11-5-4-6-12-26)18-15(3)25-28(22(18)30)17-9-7-16(24)8-10-17/h4-12,14H,13H2,1-3H3