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

Systemtic Name: (4E)-4-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-5-oxidanylidene-1-(oxolan-2-ylmethyl)-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: (4E)-4-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-5-oxo-3-pyridin-1-ium-1-yl-1-(tetrahydrofuran-2-ylmethyl)pyrrol-2-olate CAS Name: (4E)-4-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)-5-oxo-1-(2-oxolanylmethyl)-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-4-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-5-oxo-1-(oxolan-2-ylmethyl)-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: (4E)-5-keto-4-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)-3-pyridin-1-ium-1-yl-1-(tetrahydrofurfuryl)-2-pyrrolin-2-olate Formula: C24H22N4O4 MolecularWeight: 430.45588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C2C(=C(N(C2=O)CC3CCCO3)[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)CC3CCCO3)[O-])[N+]4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H22N4O4/c1-16-19(23(30)28(25-16)17-9-4-2-5-10-17)20-21(26-12-6-3-7-13-26)24(31)27(22(20)29)15-18-11-8-14-32-18/h2-7,9-10,12-13,18H,8,11,14-15H2,1H3