(4E)-4-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-5-oxidanylidene-1-propyl-3-pyridin-1-ium-1-yl-pyrrol-2-olate

Systemtic Name: (4E)-4-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-5-oxidanylidene-1-propyl-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: (4E)-4-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-5-oxo-1-propyl-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: (4E)-4-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)-5-oxo-1-propyl-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-4-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-5-oxo-1-propyl-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: (4E)-5-keto-4-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)-1-propyl-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O3/c1-3-12-25-20(27)18(19(22(25)29)24-13-8-5-9-14-24)17-15(2)23-26(21(17)28)16-10-6-4-7-11-16/h4-11,13-14H,3,12H2,1-2H3