4-[1-(3-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]-1-cyclohexyl-3-(3-ethylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate

Systemtic Name: 4-[1-(3-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]-1-cyclohexyl-3-(3-ethylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate Openeye Name: 4-[1-(3-chlorophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]-1-cyclohexyl-3-(3-ethylpyridin-1-ium-1-yl)-5-oxo-pyrrol-2-olate CAS Name: 4-[1-(3-chlorophenyl)-3-methyl-5-oxo-4-pyrazolylidene]-1-cyclohexyl-3-(3-ethyl-1-pyridin-1-iumyl)-5-oxo-2-pyrrololate IUPAC Name: 4-[1-(3-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]-1-cyclohexyl-3-(3-ethylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate Traditional Name: 4-[1-(3-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]-1-cyclohexyl-3-(3-ethylpyridin-1-ium-1-yl)-5-keto-2-pyrrolin-2-olate Formula: C27H27ClN4O3 MolecularWeight: 490.98128

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=CC=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC(=CC=C4)Cl)C)C5CCCCC5)[O-]

Isomeric SMILES

CCC1=C[N+](=CC=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC(=CC=C4)Cl)C)C5CCCCC5)[O-]

InChI

InChI=1S/C27H27ClN4O3/c1-3-18-9-8-14-30(16-18)24-23(25(33)31(27(24)35)20-11-5-4-6-12-20)22-17(2)29-32(26(22)34)21-13-7-10-19(28)15-21/h7-10,13-16,20H,3-6,11-12H2,1-2H3