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

Systemtic Name: (4E)-4-(3-ethyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-3-(3-ethylpyridin-1-ium-1-yl)-5-oxidanylidene-1-(phenylmethyl)pyrrol-2-olate Openeye Name: (4E)-1-benzyl-4-(3-ethyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-3-(3-ethylpyridin-1-ium-1-yl)-5-oxo-pyrrol-2-olate CAS Name: (4E)-4-(3-ethyl-5-oxo-1-phenyl-4-pyrazolylidene)-3-(3-ethyl-1-pyridin-1-iumyl)-5-oxo-1-(phenylmethyl)-2-pyrrololate IUPAC Name: (4E)-1-benzyl-4-(3-ethyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-(3-ethylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate Traditional Name: (4E)-1-benzyl-4-(3-ethyl-5-keto-1-phenyl-2-pyrazolin-4-ylidene)-3-(3-ethylpyridin-1-ium-1-yl)-5-keto-2-pyrrolin-2-olate Formula: C29H26N4O3 MolecularWeight: 478.54174

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=CC=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=CC=C4)CC)CC5=CC=CC=C5)[O-]

Isomeric SMILES

CCC1=C[N+](=CC=C1)C\2=C(N(C(=O)/C2=C/3\C(=NN(C3=O)C4=CC=CC=C4)CC)CC5=CC=CC=C5)[O-]

InChI

InChI=1S/C29H26N4O3/c1-3-20-14-11-17-31(18-20)26-25(27(34)32(29(26)36)19-21-12-7-5-8-13-21)24-23(4-2)30-33(28(24)35)22-15-9-6-10-16-22/h5-18H,3-4,19H2,1-2H3