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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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