(4E)-1-cyclohexyl-4-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate

Systemtic Name: (4E)-1-cyclohexyl-4-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: (4E)-1-cyclohexyl-4-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-5-oxo-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: (4E)-1-cyclohexyl-4-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)-5-oxo-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-1-cyclohexyl-4-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-5-oxo-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: (4E)-1-cyclohexyl-5-keto-4-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C25H24N4O3 MolecularWeight: 428.48306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3CCCCC3)[O-])[N+]4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/2\C(=C(N(C2=O)C3CCCCC3)[O-])[N+]4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H24N4O3/c1-17-20(24(31)29(26-17)19-13-7-3-8-14-19)21-22(27-15-9-4-10-16-27)25(32)28(23(21)30)18-11-5-2-6-12-18/h3-4,7-10,13-16,18H,2,5-6,11-12H2,1H3