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

Systemtic Name: 1-(3-chlorophenyl)-4-(3-ethyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-3-(4-ethylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate Openeye Name: 1-(3-chlorophenyl)-4-(3-ethyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-3-(4-ethylpyridin-1-ium-1-yl)-5-oxo-pyrrol-2-olate CAS Name: 1-(3-chlorophenyl)-4-(3-ethyl-5-oxo-1-phenyl-4-pyrazolylidene)-3-(4-ethyl-1-pyridin-1-iumyl)-5-oxo-2-pyrrololate IUPAC Name: 1-(3-chlorophenyl)-4-(3-ethyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-(4-ethylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate Traditional Name: 1-(3-chlorophenyl)-4-(3-ethyl-5-keto-1-phenyl-2-pyrazolin-4-ylidene)-3-(4-ethylpyridin-1-ium-1-yl)-5-keto-2-pyrrolin-2-olate Formula: C28H23ClN4O3 MolecularWeight: 498.96022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=[N+](C=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=CC=C4)CC)C5=CC(=CC=C5)Cl)[O-]

Isomeric SMILES

CCC1=CC=[N+](C=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=CC=C4)CC)C5=CC(=CC=C5)Cl)[O-]

InChI

InChI=1S/C28H23ClN4O3/c1-3-18-13-15-31(16-14-18)25-24(26(34)32(28(25)36)21-12-8-9-19(29)17-21)23-22(4-2)30-33(27(23)35)20-10-6-5-7-11-20/h5-17H,3-4H2,1-2H3