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

Systemtic Name: 4-[1-(4-chlorophenyl)-5-oxidanylidene-3-propan-2-yl-pyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-1-(2-methoxyethyl)-5-oxidanylidene-pyrrol-2-olate Openeye Name: 4-[1-(4-chlorophenyl)-3-isopropyl-5-oxo-pyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-1-(2-methoxyethyl)-5-oxo-pyrrol-2-olate CAS Name: 4-[1-(4-chlorophenyl)-5-oxo-3-propan-2-yl-4-pyrazolylidene]-3-(4-ethyl-1-pyridin-1-iumyl)-1-(2-methoxyethyl)-5-oxo-2-pyrrololate IUPAC Name: 4-[1-(4-chlorophenyl)-5-oxo-3-propan-2-ylpyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-1-(2-methoxyethyl)-5-oxopyrrol-2-olate Traditional Name: 4-[1-(4-chlorophenyl)-3-isopropyl-5-keto-2-pyrazolin-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-5-keto-1-(2-methoxyethyl)-2-pyrrolin-2-olate Formula: C26H27ClN4O4 MolecularWeight: 494.96998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27ClN4O4/c1-5-17-10-12-29(13-11-17)23-21(24(32)30(26(23)34)14-15-35-4)20-22(16(2)3)28-31(25(20)33)19-8-6-18(27)7-9-19/h6-13,16H,5,14-15H2,1-4H3