(4E)-4-[1-(2,4-dimethylphenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]-5-oxidanylidene-1-propan-2-yl-3-pyridin-1-ium-1-yl-pyrrol-2-olate

Systemtic Name: (4E)-4-[1-(2,4-dimethylphenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]-5-oxidanylidene-1-propan-2-yl-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: (4E)-4-[1-(2,4-dimethylphenyl)-5-oxo-3-propyl-pyrazol-4-ylidene]-1-isopropyl-5-oxo-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: (4E)-4-[1-(2,4-dimethylphenyl)-5-oxo-3-propyl-4-pyrazolylidene]-5-oxo-1-propan-2-yl-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-4-[1-(2,4-dimethylphenyl)-5-oxo-3-propylpyrazol-4-ylidene]-5-oxo-1-propan-2-yl-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: (4E)-4-[1-(2,4-dimethylphenyl)-5-keto-3-propyl-2-pyrazolin-4-ylidene]-1-isopropyl-5-keto-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C(C)C)[O-])[N+]3=CC=CC=C3)C4=C(C=C(C=C4)C)C

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/2\C(=C(N(C2=O)C(C)C)[O-])[N+]3=CC=CC=C3)C4=C(C=C(C=C4)C)C

InChI

InChI=1S/C26H28N4O3/c1-6-10-19-21(25(32)30(27-19)20-12-11-17(4)15-18(20)5)22-23(28-13-8-7-9-14-28)26(33)29(16(2)3)24(22)31/h7-9,11-16H,6,10H2,1-5H3