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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=C2C(=NN(C2=O)C3=CC(=CC=C3)Cl)C(C)C)C1=O)[N+]4=CC=CC(=C4)CC)[O-]

Isomeric SMILES

CCCN1C(=C(/C(=C\2/C(=NN(C2=O)C3=CC(=CC=C3)Cl)C(C)C)/C1=O)[N+]4=CC=CC(=C4)CC)[O-]

InChI

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