(4E)-4-[1-(3-chlorophenyl)-3-ethyl-5-oxidanylidene-pyrazol-4-ylidene]-1-(2-methoxyethyl)-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-(2-methoxyethyl)-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-(2-methoxyethyl)-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-(2-methoxyethyl)-5-oxo-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-4-[1-(3-chlorophenyl)-3-ethyl-5-oxopyrazol-4-ylidene]-1-(2-methoxyethyl)-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-(2-methoxyethyl)-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C23H21ClN4O4 MolecularWeight: 452.89024

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)CCOC)[O-])[N+]3=CC=CC=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN4O4/c1-3-17-18(22(30)28(25-17)16-9-7-8-15(24)14-16)19-20(26-10-5-4-6-11-26)23(31)27(21(19)29)12-13-32-2/h4-11,14H,3,12-13H2,1-2H3