4-[1-(2,3-dimethylphenyl)-3-ethyl-5-oxidanylidene-pyrazol-4-ylidene]-1-(3-methylphenyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate

Systemtic Name: 4-[1-(2,3-dimethylphenyl)-3-ethyl-5-oxidanylidene-pyrazol-4-ylidene]-1-(3-methylphenyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate Openeye Name: 4-[1-(2,3-dimethylphenyl)-3-ethyl-5-oxo-pyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-1-(m-tolyl)-5-oxo-pyrrol-2-olate CAS Name: 4-[1-(2,3-dimethylphenyl)-3-ethyl-5-oxo-4-pyrazolylidene]-1-(3-methylphenyl)-3-(3-methyl-1-pyridin-1-iumyl)-5-oxo-2-pyrrololate IUPAC Name: 4-[1-(2,3-dimethylphenyl)-3-ethyl-5-oxopyrazol-4-ylidene]-1-(3-methylphenyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate Traditional Name: 4-[1-(2,3-dimethylphenyl)-3-ethyl-5-keto-2-pyrazolin-4-ylidene]-5-keto-3-(3-methylpyridin-1-ium-1-yl)-1-(m-tolyl)-2-pyrrolin-2-olate Formula: C30H28N4O3 MolecularWeight: 492.56832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC=CC(=C3)C)[O-])[N+]4=CC=CC(=C4)C)C5=CC=CC(=C5C)C

Isomeric SMILES

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC=CC(=C3)C)[O-])[N+]4=CC=CC(=C4)C)C5=CC=CC(=C5C)C

InChI

InChI=1S/C30H28N4O3/c1-6-23-25(29(36)34(31-23)24-14-8-12-20(4)21(24)5)26-27(32-15-9-11-19(3)17-32)30(37)33(28(26)35)22-13-7-10-18(2)16-22/h7-17H,6H2,1-5H3