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

Systemtic Name: (4E)-1-(1,3-benzodioxol-5-yl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propyl-pyrazol-4-ylidene)pyrrol-2-olate Openeye Name: (4E)-1-(1,3-benzodioxol-5-yl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-4-(5-oxo-1-phenyl-3-propyl-pyrazol-4-ylidene)pyrrol-2-olate CAS Name: (4E)-1-(1,3-benzodioxol-5-yl)-3-(3-methyl-1-pyridin-1-iumyl)-5-oxo-4-(5-oxo-1-phenyl-3-propyl-4-pyrazolylidene)-2-pyrrololate IUPAC Name: (4E)-1-(1,3-benzodioxol-5-yl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-4-(5-oxo-1-phenyl-3-propylpyrazol-4-ylidene)pyrrol-2-olate Traditional Name: (4E)-1-(1,3-benzodioxol-5-yl)-5-keto-4-(5-keto-1-phenyl-3-propyl-2-pyrazolin-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-2-pyrrolin-2-olate Formula: C29H24N4O5 MolecularWeight: 508.52466

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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=CC=C6

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=CC=C6

InChI

InChI=1S/C29H24N4O5/c1-3-8-21-24(28(35)33(30-21)19-10-5-4-6-11-19)25-26(31-14-7-9-18(2)16-31)29(36)32(27(25)34)20-12-13-22-23(15-20)38-17-37-22/h4-7,9-16H,3,8,17H2,1-2H3