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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=CC=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=CC=C4)C)C5=CC6=C(C=C5)OCO6)[O-]

Isomeric SMILES

CCC1=C[N+](=CC=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=CC=C4)C)C5=CC6=C(C=C5)OCO6)[O-]

InChI

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