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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=CC=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=C(C=C4)Cl)C(C)C)C(C)C)[O-]

Isomeric SMILES

CCC1=C[N+](=CC=C1)C\2=C(N(C(=O)/C2=C/3\C(=NN(C3=O)C4=CC=C(C=C4)Cl)C(C)C)C(C)C)[O-]

InChI

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