(4E)-1-(3-chlorophenyl)-4-(3-ethyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC(=CC=C3)Cl)[O-])[N+]4=CC=CC(=C4)C)C5=CC=CC=C5

Isomeric SMILES

CCC\1=NN(C(=O)/C1=C/2\C(=C(N(C2=O)C3=CC(=CC=C3)Cl)[O-])[N+]4=CC=CC(=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C27H21ClN4O3/c1-3-21-22(26(34)32(29-21)19-11-5-4-6-12-19)23-24(30-14-8-9-17(2)16-30)27(35)31(25(23)33)20-13-7-10-18(28)15-20/h4-16H,3H2,1-2H3