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

Systemtic Name: (4E)-4-[1-(3-chlorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]-1-(4-methoxyphenyl)-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: (4E)-4-[1-(3-chlorophenyl)-5-oxo-3-propyl-pyrazol-4-ylidene]-1-(4-methoxyphenyl)-5-oxo-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: (4E)-4-[1-(3-chlorophenyl)-5-oxo-3-propyl-4-pyrazolylidene]-1-(4-methoxyphenyl)-5-oxo-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-4-[1-(3-chlorophenyl)-5-oxo-3-propylpyrazol-4-ylidene]-1-(4-methoxyphenyl)-5-oxo-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: (4E)-4-[1-(3-chlorophenyl)-5-keto-3-propyl-2-pyrazolin-4-ylidene]-5-keto-1-(4-methoxyphenyl)-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C28H23ClN4O4 MolecularWeight: 514.95962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC=C(C=C3)OC)[O-])[N+]4=CC=CC=C4)C5=CC(=CC=C5)Cl

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/2\C(=C(N(C2=O)C3=CC=C(C=C3)OC)[O-])[N+]4=CC=CC=C4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C28H23ClN4O4/c1-3-8-22-23(27(35)33(30-22)20-10-7-9-18(29)17-20)24-25(31-15-5-4-6-16-31)28(36)32(26(24)34)19-11-13-21(37-2)14-12-19/h4-7,9-17H,3,8H2,1-2H3