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

Systemtic Name: (4E)-1-(2-methoxyethyl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propyl-pyrazol-4-ylidene)-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: (4E)-1-(2-methoxyethyl)-5-oxo-4-(5-oxo-1-phenyl-3-propyl-pyrazol-4-ylidene)-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: (4E)-1-(2-methoxyethyl)-5-oxo-4-(5-oxo-1-phenyl-3-propyl-4-pyrazolylidene)-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-1-(2-methoxyethyl)-5-oxo-4-(5-oxo-1-phenyl-3-propylpyrazol-4-ylidene)-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: (4E)-5-keto-4-(5-keto-1-phenyl-3-propyl-2-pyrazolin-4-ylidene)-1-(2-methoxyethyl)-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C24H24N4O4 MolecularWeight: 432.47176

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4O4/c1-3-10-18-19(23(30)28(25-18)17-11-6-4-7-12-17)20-21(26-13-8-5-9-14-26)24(31)27(22(20)29)15-16-32-2/h4-9,11-14H,3,10,15-16H2,1-2H3