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

Systemtic Name: 1-(4-methoxyphenyl)-4-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate Openeye Name: 1-(4-methoxyphenyl)-4-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-pyrrol-2-olate CAS Name: 1-(4-methoxyphenyl)-4-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)-3-(3-methyl-1-pyridin-1-iumyl)-5-oxo-2-pyrrololate IUPAC Name: 1-(4-methoxyphenyl)-4-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate Traditional Name: 5-keto-4-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)-1-(4-methoxyphenyl)-3-(3-methylpyridin-1-ium-1-yl)-2-pyrrolin-2-olate Formula: C27H22N4O4 MolecularWeight: 466.48798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22N4O4/c1-17-8-7-15-29(16-17)24-23(22-18(2)28-31(26(22)33)20-9-5-4-6-10-20)25(32)30(27(24)34)19-11-13-21(35-3)14-12-19/h4-16H,1-3H3