1-(3-chlorophenyl)-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(1-methyl-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene)-5-oxidanylidene-pyrrol-2-olate

Systemtic Name: 1-(3-chlorophenyl)-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(1-methyl-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene)-5-oxidanylidene-pyrrol-2-olate Openeye Name: 1-(3-chlorophenyl)-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(1-methyl-5-oxo-3-phenyl-pyrazol-4-ylidene)-5-oxo-pyrrol-2-olate CAS Name: 1-(3-chlorophenyl)-3-(3,5-dimethyl-1-pyridin-1-iumyl)-4-(1-methyl-5-oxo-3-phenyl-4-pyrazolylidene)-5-oxo-2-pyrrololate IUPAC Name: 1-(3-chlorophenyl)-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(1-methyl-5-oxo-3-phenylpyrazol-4-ylidene)-5-oxopyrrol-2-olate Traditional Name: 1-(3-chlorophenyl)-3-(3,5-dimethylpyridin-1-ium-1-yl)-5-keto-4-(5-keto-1-methyl-3-phenyl-2-pyrazolin-4-ylidene)-2-pyrrolin-2-olate Formula: C27H21ClN4O3 MolecularWeight: 484.93364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21ClN4O3/c1-16-12-17(2)15-31(14-16)24-22(26(34)32(27(24)35)20-11-7-10-19(28)13-20)21-23(29-30(3)25(21)33)18-8-5-4-6-9-18/h4-15H,1-3H3