1-(1,3-benzodioxol-5-yl)-4-[1-(3-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-4-[1-(3-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: 1-(1,3-benzodioxol-5-yl)-4-[1-(3-chlorophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]-5-oxo-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: 1-(1,3-benzodioxol-5-yl)-4-[1-(3-chlorophenyl)-3-methyl-5-oxo-4-pyrazolylidene]-5-oxo-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: 1-(1,3-benzodioxol-5-yl)-4-[1-(3-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]-5-oxo-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: 1-(1,3-benzodioxol-5-yl)-4-[1-(3-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]-5-keto-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C26H17ClN4O5 MolecularWeight: 500.88998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC4=C(C=C3)OCO4)[O-])[N+]5=CC=CC=C5)C6=CC(=CC=C6)Cl

Isomeric SMILES

CC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC4=C(C=C3)OCO4)[O-])[N+]5=CC=CC=C5)C6=CC(=CC=C6)Cl

InChI

InChI=1S/C26H17ClN4O5/c1-15-21(25(33)31(28-15)18-7-5-6-16(27)12-18)22-23(29-10-3-2-4-11-29)26(34)30(24(22)32)17-8-9-19-20(13-17)36-14-35-19/h2-13H,14H2,1H3