(4E)-4-[1-(3-chlorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]-3-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2-methoxyethyl)-5-oxidanylidene-pyrrol-2-olate

Systemtic Name: (4E)-4-[1-(3-chlorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]-3-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2-methoxyethyl)-5-oxidanylidene-pyrrol-2-olate Openeye Name: (4E)-4-[1-(3-chlorophenyl)-5-oxo-3-propyl-pyrazol-4-ylidene]-3-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2-methoxyethyl)-5-oxo-pyrrol-2-olate CAS Name: (4E)-4-[1-(3-chlorophenyl)-5-oxo-3-propyl-4-pyrazolylidene]-3-(3,5-dimethyl-1-pyridin-1-iumyl)-1-(2-methoxyethyl)-5-oxo-2-pyrrololate IUPAC Name: (4E)-4-[1-(3-chlorophenyl)-5-oxo-3-propylpyrazol-4-ylidene]-3-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2-methoxyethyl)-5-oxopyrrol-2-olate Traditional Name: (4E)-4-[1-(3-chlorophenyl)-5-keto-3-propyl-2-pyrazolin-4-ylidene]-3-(3,5-dimethylpyridin-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:

CCCC1=NN(C(=O)C1=C2C(=C(N(C2=O)CCOC)[O-])[N+]3=CC(=CC(=C3)C)C)C4=CC(=CC=C4)Cl

Isomeric SMILES

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

InChI

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