4-[1-(3-chlorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]-3-(3-ethylpyridin-1-ium-1-yl)-1-(2-methoxyethyl)-5-oxidanylidene-pyrrol-2-olate

Systemtic Name: 4-[1-(3-chlorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]-3-(3-ethylpyridin-1-ium-1-yl)-1-(2-methoxyethyl)-5-oxidanylidene-pyrrol-2-olate Openeye Name: 4-[1-(3-chlorophenyl)-5-oxo-3-propyl-pyrazol-4-ylidene]-3-(3-ethylpyridin-1-ium-1-yl)-1-(2-methoxyethyl)-5-oxo-pyrrol-2-olate CAS Name: 4-[1-(3-chlorophenyl)-5-oxo-3-propyl-4-pyrazolylidene]-3-(3-ethyl-1-pyridin-1-iumyl)-1-(2-methoxyethyl)-5-oxo-2-pyrrololate IUPAC Name: 4-[1-(3-chlorophenyl)-5-oxo-3-propylpyrazol-4-ylidene]-3-(3-ethylpyridin-1-ium-1-yl)-1-(2-methoxyethyl)-5-oxopyrrol-2-olate Traditional Name: 4-[1-(3-chlorophenyl)-5-keto-3-propyl-2-pyrazolin-4-ylidene]-3-(3-ethylpyridin-1-ium-1-yl)-5-keto-1-(2-methoxyethyl)-2-pyrrolin-2-olate Formula: C26H27ClN4O4 MolecularWeight: 494.96998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27ClN4O4/c1-4-8-20-21(25(33)31(28-20)19-11-6-10-18(27)15-19)22-23(29-12-7-9-17(5-2)16-29)26(34)30(24(22)32)13-14-35-3/h6-7,9-12,15-16H,4-5,8,13-14H2,1-3H3