1-(3-methylphenyl)-3-(4-methylpyridin-1-ium-1-yl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propan-2-yl-pyrazol-4-ylidene)pyrrol-2-olate

Systemtic Name: 1-(3-methylphenyl)-3-(4-methylpyridin-1-ium-1-yl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propan-2-yl-pyrazol-4-ylidene)pyrrol-2-olate Openeye Name: 4-(3-isopropyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-3-(4-methylpyridin-1-ium-1-yl)-1-(m-tolyl)-5-oxo-pyrrol-2-olate CAS Name: 1-(3-methylphenyl)-3-(4-methyl-1-pyridin-1-iumyl)-5-oxo-4-(5-oxo-1-phenyl-3-propan-2-yl-4-pyrazolylidene)-2-pyrrololate IUPAC Name: 1-(3-methylphenyl)-3-(4-methylpyridin-1-ium-1-yl)-5-oxo-4-(5-oxo-1-phenyl-3-propan-2-ylpyrazol-4-ylidene)pyrrol-2-olate Traditional Name: 4-(3-isopropyl-5-keto-1-phenyl-2-pyrazolin-4-ylidene)-5-keto-3-(4-methylpyridin-1-ium-1-yl)-1-(m-tolyl)-2-pyrrolin-2-olate Formula: C29H26N4O3 MolecularWeight: 478.54174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=CC=C4)C(C)C)C5=CC=CC(=C5)C)[O-]

Isomeric SMILES

CC1=CC=[N+](C=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=CC=C4)C(C)C)C5=CC=CC(=C5)C)[O-]

InChI

InChI=1S/C29H26N4O3/c1-18(2)25-23(28(35)33(30-25)21-10-6-5-7-11-21)24-26(31-15-13-19(3)14-16-31)29(36)32(27(24)34)22-12-8-9-20(4)17-22/h5-18H,1-4H3