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

Systemtic Name: (4E)-4-[1-(3-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]-3-(4-methylpyridin-1-ium-1-yl)-5-oxidanylidene-1-propyl-pyrrol-2-olate Openeye Name: (4E)-4-[1-(3-chlorophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]-3-(4-methylpyridin-1-ium-1-yl)-5-oxo-1-propyl-pyrrol-2-olate CAS Name: (4E)-4-[1-(3-chlorophenyl)-3-methyl-5-oxo-4-pyrazolylidene]-3-(4-methyl-1-pyridin-1-iumyl)-5-oxo-1-propyl-2-pyrrololate IUPAC Name: (4E)-4-[1-(3-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]-3-(4-methylpyridin-1-ium-1-yl)-5-oxo-1-propylpyrrol-2-olate Traditional Name: (4E)-4-[1-(3-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]-5-keto-3-(4-methylpyridin-1-ium-1-yl)-1-propyl-2-pyrrolin-2-olate Formula: C23H21ClN4O3 MolecularWeight: 436.89084

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=C2C(=NN(C2=O)C3=CC(=CC=C3)Cl)C)C1=O)[N+]4=CC=C(C=C4)C)[O-]

Isomeric SMILES

CCCN1C(=C(/C(=C\2/C(=NN(C2=O)C3=CC(=CC=C3)Cl)C)/C1=O)[N+]4=CC=C(C=C4)C)[O-]

InChI

InChI=1S/C23H21ClN4O3/c1-4-10-27-21(29)19(20(23(27)31)26-11-8-14(2)9-12-26)18-15(3)25-28(22(18)30)17-7-5-6-16(24)13-17/h5-9,11-13H,4,10H2,1-3H3