(4E)-4-[1-(3-chlorophenyl)-3-ethyl-5-oxidanylidene-pyrazol-4-ylidene]-1-(4-methoxyphenyl)-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate

Systemtic Name: (4E)-4-[1-(3-chlorophenyl)-3-ethyl-5-oxidanylidene-pyrazol-4-ylidene]-1-(4-methoxyphenyl)-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: (4E)-4-[1-(3-chlorophenyl)-3-ethyl-5-oxo-pyrazol-4-ylidene]-1-(4-methoxyphenyl)-5-oxo-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: (4E)-4-[1-(3-chlorophenyl)-3-ethyl-5-oxo-4-pyrazolylidene]-1-(4-methoxyphenyl)-5-oxo-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-4-[1-(3-chlorophenyl)-3-ethyl-5-oxopyrazol-4-ylidene]-1-(4-methoxyphenyl)-5-oxo-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: (4E)-4-[1-(3-chlorophenyl)-3-ethyl-5-keto-2-pyrazolin-4-ylidene]-5-keto-1-(4-methoxyphenyl)-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C27H21ClN4O4 MolecularWeight: 500.93304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC=C(C=C3)OC)[O-])[N+]4=CC=CC=C4)C5=CC(=CC=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H21ClN4O4/c1-3-21-22(26(34)32(29-21)19-9-7-8-17(28)16-19)23-24(30-14-5-4-6-15-30)27(35)31(25(23)33)18-10-12-20(36-2)13-11-18/h4-16H,3H2,1-2H3