1-(1,3-benzodioxol-5-yl)-4-(1-methyl-5-oxidanylidene-3-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-(1-methyl-5-oxidanylidene-3-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-(1-methyl-5-oxo-3-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-(1-methyl-5-oxo-3-phenyl-4-pyrazolylidene)-3-(4-methyl-1-pyridin-1-iumyl)-5-oxo-2-pyrrololate IUPAC Name: 1-(1,3-benzodioxol-5-yl)-4-(1-methyl-5-oxo-3-phenylpyrazol-4-ylidene)-3-(4-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate Traditional Name: 1-(1,3-benzodioxol-5-yl)-5-keto-4-(5-keto-1-methyl-3-phenyl-2-pyrazolin-4-ylidene)-3-(4-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=CC=[N+](C=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

CC1=CC=[N+](C=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/C27H20N4O5/c1-16-10-12-30(13-11-16)24-22(21-23(28-29(2)25(21)32)17-6-4-3-5-7-17)26(33)31(27(24)34)18-8-9-19-20(14-18)36-15-35-19/h3-14H,15H2,1-2H3