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

Systemtic Name: (4E)-4-[1-(3-chlorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-5-oxidanylidene-1-propyl-pyrrol-2-olate Openeye Name: (4E)-4-[1-(3-chlorophenyl)-5-oxo-3-propyl-pyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-5-oxo-1-propyl-pyrrol-2-olate CAS Name: (4E)-4-[1-(3-chlorophenyl)-5-oxo-3-propyl-4-pyrazolylidene]-3-(4-ethyl-1-pyridin-1-iumyl)-5-oxo-1-propyl-2-pyrrololate IUPAC Name: (4E)-4-[1-(3-chlorophenyl)-5-oxo-3-propylpyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-5-oxo-1-propylpyrrol-2-olate Traditional Name: (4E)-4-[1-(3-chlorophenyl)-5-keto-3-propyl-2-pyrazolin-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-5-keto-1-propyl-2-pyrrolin-2-olate Formula: C26H27ClN4O3 MolecularWeight: 478.97058

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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=C(C=C3)CC)C4=CC(=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H27ClN4O3/c1-4-8-20-21(25(33)31(28-20)19-10-7-9-18(27)16-19)22-23(26(34)30(13-5-2)24(22)32)29-14-11-17(6-3)12-15-29/h7,9-12,14-16H,4-6,8,13H2,1-3H3