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

Systemtic Name: (4E)-1-(1,3-benzodioxol-5-yl)-4-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate Openeye Name: (4E)-1-(1,3-benzodioxol-5-yl)-4-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-pyrrol-2-olate CAS Name: (4E)-1-(1,3-benzodioxol-5-yl)-4-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)-3-(3-methyl-1-pyridin-1-iumyl)-5-oxo-2-pyrrololate IUPAC Name: (4E)-1-(1,3-benzodioxol-5-yl)-4-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate Traditional Name: (4E)-1-(1,3-benzodioxol-5-yl)-5-keto-4-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-2-pyrrolin-2-olate Formula: C27H20N4O5 MolecularWeight: 480.4715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=C[N+](=CC=C1)C\2=C(N(C(=O)/C2=C/3\C(=NN(C3=O)C4=CC=CC=C4)C)C5=CC6=C(C=C5)OCO6)[O-]

InChI

InChI=1S/C27H20N4O5/c1-16-7-6-12-29(14-16)24-23(22-17(2)28-31(26(22)33)18-8-4-3-5-9-18)25(32)30(27(24)34)19-10-11-20-21(13-19)36-15-35-20/h3-14H,15H2,1-2H3