(4E)-1-(1,3-benzodioxol-5-yl)-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-(1,3-benzodioxol-5-yl)-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-(1,3-benzodioxol-5-yl)-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-(1,3-benzodioxol-5-yl)-5-oxo-4-(5-oxo-1-phenyl-3-propyl-4-pyrazolylidene)-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-1-(1,3-benzodioxol-5-yl)-5-oxo-4-(5-oxo-1-phenyl-3-propylpyrazol-4-ylidene)-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: (4E)-1-(1,3-benzodioxol-5-yl)-5-keto-4-(5-keto-1-phenyl-3-propyl-2-pyrazolin-4-ylidene)-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C28H22N4O5 MolecularWeight: 494.49808

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC4=C(C=C3)OCO4)[O-])[N+]5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/2\C(=C(N(C2=O)C3=CC4=C(C=C3)OCO4)[O-])[N+]5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C28H22N4O5/c1-2-9-20-23(27(34)32(29-20)18-10-5-3-6-11-18)24-25(30-14-7-4-8-15-30)28(35)31(26(24)33)19-12-13-21-22(16-19)37-17-36-21/h3-8,10-16H,2,9,17H2,1H3