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

Systemtic Name: (4E)-1-(3-chlorophenyl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propyl-pyrazol-4-ylidene)-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: (4E)-1-(3-chlorophenyl)-5-oxo-4-(5-oxo-1-phenyl-3-propyl-pyrazol-4-ylidene)-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: (4E)-1-(3-chlorophenyl)-5-oxo-4-(5-oxo-1-phenyl-3-propyl-4-pyrazolylidene)-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-1-(3-chlorophenyl)-5-oxo-4-(5-oxo-1-phenyl-3-propylpyrazol-4-ylidene)-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: (4E)-1-(3-chlorophenyl)-5-keto-4-(5-keto-1-phenyl-3-propyl-2-pyrazolin-4-ylidene)-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C27H21ClN4O3 MolecularWeight: 484.93364

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC(=CC=C3)Cl)[O-])[N+]4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/2\C(=C(N(C2=O)C3=CC(=CC=C3)Cl)[O-])[N+]4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H21ClN4O3/c1-2-10-21-22(26(34)32(29-21)19-12-5-3-6-13-19)23-24(30-15-7-4-8-16-30)27(35)31(25(23)33)20-14-9-11-18(28)17-20/h3-9,11-17H,2,10H2,1H3