(4E)-1-(1,3-benzodioxol-5-yl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propan-2-yl-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-propan-2-yl-pyrazol-4-ylidene)pyrrol-2-olate Openeye Name: (4E)-1-(1,3-benzodioxol-5-yl)-4-(3-isopropyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-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-propan-2-yl-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-propan-2-ylpyrazol-4-ylidene)pyrrol-2-olate Traditional Name: (4E)-1-(1,3-benzodioxol-5-yl)-4-(3-isopropyl-5-keto-1-phenyl-2-pyrazolin-4-ylidene)-5-keto-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:

CC1=C[N+](=CC=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=CC=C4)C(C)C)C5=CC6=C(C=C5)OCO6)[O-]

Isomeric SMILES

CC1=C[N+](=CC=C1)C\2=C(N(C(=O)/C2=C/3\C(=NN(C3=O)C4=CC=CC=C4)C(C)C)C5=CC6=C(C=C5)OCO6)[O-]

InChI

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