1-(1,3-benzodioxol-5-yl)-3-(3-ethylpyridin-1-ium-1-yl)-4-(1-methyl-5-oxidanylidene-3-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-(1-methyl-5-oxidanylidene-3-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-(1-methyl-5-oxo-3-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-(1-methyl-5-oxo-3-phenyl-4-pyrazolylidene)-5-oxo-2-pyrrololate IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(3-ethylpyridin-1-ium-1-yl)-4-(1-methyl-5-oxo-3-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-1-methyl-3-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)C)C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6)[O-]

Isomeric SMILES

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

InChI

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