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

Systemtic Name: (4E)-4-[1-(3-chlorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]-5-oxidanylidene-1-propyl-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: (4E)-4-[1-(3-chlorophenyl)-5-oxo-3-propyl-pyrazol-4-ylidene]-5-oxo-1-propyl-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: (4E)-4-[1-(3-chlorophenyl)-5-oxo-3-propyl-4-pyrazolylidene]-5-oxo-1-propyl-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-4-[1-(3-chlorophenyl)-5-oxo-3-propylpyrazol-4-ylidene]-5-oxo-1-propyl-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: (4E)-4-[1-(3-chlorophenyl)-5-keto-3-propyl-2-pyrazolin-4-ylidene]-5-keto-1-propyl-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C24H23ClN4O3 MolecularWeight: 450.91742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23ClN4O3/c1-3-9-18-19(23(31)29(26-18)17-11-8-10-16(25)15-17)20-21(27-13-6-5-7-14-27)24(32)28(12-4-2)22(20)30/h5-8,10-11,13-15H,3-4,9,12H2,1-2H3