1-(1,3-benzodioxol-5-yl)-4-[1-(4-chlorophenyl)-3-ethyl-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-(4-chlorophenyl)-3-ethyl-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-(4-chlorophenyl)-3-ethyl-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-(4-chlorophenyl)-3-ethyl-5-oxo-4-pyrazolylidene]-5-oxo-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: 1-(1,3-benzodioxol-5-yl)-4-[1-(4-chlorophenyl)-3-ethyl-5-oxopyrazol-4-ylidene]-5-oxo-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: 1-(1,3-benzodioxol-5-yl)-4-[1-(4-chlorophenyl)-3-ethyl-5-keto-2-pyrazolin-4-ylidene]-5-keto-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C27H19ClN4O5 MolecularWeight: 514.91656

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC4=C(C=C3)OCO4)[O-])[N+]5=CC=CC=C5)C6=CC=C(C=C6)Cl

Isomeric SMILES

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC4=C(C=C3)OCO4)[O-])[N+]5=CC=CC=C5)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C27H19ClN4O5/c1-2-19-22(26(34)32(29-19)17-8-6-16(28)7-9-17)23-24(30-12-4-3-5-13-30)27(35)31(25(23)33)18-10-11-20-21(14-18)37-15-36-20/h3-14H,2,15H2,1H3