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

Systemtic Name: (4E)-4-[1-(4-chlorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]-1-(2-methoxyethyl)-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: (4E)-4-[1-(4-chlorophenyl)-5-oxo-3-propyl-pyrazol-4-ylidene]-1-(2-methoxyethyl)-5-oxo-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: (4E)-4-[1-(4-chlorophenyl)-5-oxo-3-propyl-4-pyrazolylidene]-1-(2-methoxyethyl)-5-oxo-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-4-[1-(4-chlorophenyl)-5-oxo-3-propylpyrazol-4-ylidene]-1-(2-methoxyethyl)-5-oxo-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: (4E)-4-[1-(4-chlorophenyl)-5-keto-3-propyl-2-pyrazolin-4-ylidene]-5-keto-1-(2-methoxyethyl)-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C24H23ClN4O4 MolecularWeight: 466.91682

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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)C4=CC=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H23ClN4O4/c1-3-7-18-19(23(31)29(26-18)17-10-8-16(25)9-11-17)20-21(27-12-5-4-6-13-27)24(32)28(22(20)30)14-15-33-2/h4-6,8-13H,3,7,14-15H2,1-2H3