1-(1,3-benzodioxol-5-yl)-4-(3-ethyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-3-(4-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-4-(3-ethyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-3-(4-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate Openeye Name: 1-(1,3-benzodioxol-5-yl)-4-(3-ethyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-3-(4-methylpyridin-1-ium-1-yl)-5-oxo-pyrrol-2-olate CAS Name: 1-(1,3-benzodioxol-5-yl)-4-(3-ethyl-5-oxo-1-phenyl-4-pyrazolylidene)-3-(4-methyl-1-pyridin-1-iumyl)-5-oxo-2-pyrrololate IUPAC Name: 1-(1,3-benzodioxol-5-yl)-4-(3-ethyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-(4-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate Traditional Name: 1-(1,3-benzodioxol-5-yl)-4-(3-ethyl-5-keto-1-phenyl-2-pyrazolin-4-ylidene)-5-keto-3-(4-methylpyridin-1-ium-1-yl)-2-pyrrolin-2-olate Formula: C28H22N4O5 MolecularWeight: 494.49808

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC4=C(C=C3)OCO4)[O-])[N+]5=CC=C(C=C5)C)C6=CC=CC=C6

Isomeric SMILES

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC4=C(C=C3)OCO4)[O-])[N+]5=CC=C(C=C5)C)C6=CC=CC=C6

InChI

InChI=1S/C28H22N4O5/c1-3-20-23(27(34)32(29-20)18-7-5-4-6-8-18)24-25(30-13-11-17(2)12-14-30)28(35)31(26(24)33)19-9-10-21-22(15-19)37-16-36-21/h4-15H,3,16H2,1-2H3