(4E)-1-(1,3-benzodioxol-5-yl)-4-[1-(3,4-dichlorophenyl)-5-oxidanylidene-3-propyl-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-[1-(3,4-dichlorophenyl)-5-oxidanylidene-3-propyl-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-[1-(3,4-dichlorophenyl)-5-oxo-3-propyl-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-[1-(3,4-dichlorophenyl)-5-oxo-3-propyl-4-pyrazolylidene]-3-(3-methyl-1-pyridin-1-iumyl)-5-oxo-2-pyrrololate IUPAC Name: (4E)-1-(1,3-benzodioxol-5-yl)-4-[1-(3,4-dichlorophenyl)-5-oxo-3-propylpyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate Traditional Name: (4E)-1-(1,3-benzodioxol-5-yl)-4-[1-(3,4-dichlorophenyl)-5-keto-3-propyl-2-pyrazolin-4-ylidene]-5-keto-3-(3-methylpyridin-1-ium-1-yl)-2-pyrrolin-2-olate Formula: C29H22Cl2N4O5 MolecularWeight: 577.41478

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC4=C(C=C3)OCO4)[O-])[N+]5=CC=CC(=C5)C)C6=CC(=C(C=C6)Cl)Cl

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/2\C(=C(N(C2=O)C3=CC4=C(C=C3)OCO4)[O-])[N+]5=CC=CC(=C5)C)C6=CC(=C(C=C6)Cl)Cl

InChI

InChI=1S/C29H22Cl2N4O5/c1-3-5-21-24(28(37)35(32-21)18-7-9-19(30)20(31)12-18)25-26(33-11-4-6-16(2)14-33)29(38)34(27(25)36)17-8-10-22-23(13-17)40-15-39-22/h4,6-14H,3,5,15H2,1-2H3