3-(3-ethylpyridin-1-ium-1-yl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propyl-pyrazol-4-ylidene)-1-propyl-pyrrol-2-olate

Systemtic Name: 3-(3-ethylpyridin-1-ium-1-yl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propyl-pyrazol-4-ylidene)-1-propyl-pyrrol-2-olate Openeye Name: 3-(3-ethylpyridin-1-ium-1-yl)-5-oxo-4-(5-oxo-1-phenyl-3-propyl-pyrazol-4-ylidene)-1-propyl-pyrrol-2-olate CAS Name: 3-(3-ethyl-1-pyridin-1-iumyl)-5-oxo-4-(5-oxo-1-phenyl-3-propyl-4-pyrazolylidene)-1-propyl-2-pyrrololate IUPAC Name: 3-(3-ethylpyridin-1-ium-1-yl)-5-oxo-4-(5-oxo-1-phenyl-3-propylpyrazol-4-ylidene)-1-propylpyrrol-2-olate Traditional Name: 3-(3-ethylpyridin-1-ium-1-yl)-5-keto-4-(5-keto-1-phenyl-3-propyl-2-pyrazolin-4-ylidene)-1-propyl-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)CCC)[O-])[N+]3=CC=CC(=C3)CC)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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