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

Systemtic Name: (4E)-3-(3-ethylpyridin-1-ium-1-yl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propan-2-yl-pyrazol-4-ylidene)-1-(phenylmethyl)pyrrol-2-olate Openeye Name: (4E)-1-benzyl-3-(3-ethylpyridin-1-ium-1-yl)-4-(3-isopropyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-5-oxo-pyrrol-2-olate CAS Name: (4E)-3-(3-ethyl-1-pyridin-1-iumyl)-5-oxo-4-(5-oxo-1-phenyl-3-propan-2-yl-4-pyrazolylidene)-1-(phenylmethyl)-2-pyrrololate IUPAC Name: (4E)-1-benzyl-3-(3-ethylpyridin-1-ium-1-yl)-5-oxo-4-(5-oxo-1-phenyl-3-propan-2-ylpyrazol-4-ylidene)pyrrol-2-olate Traditional Name: (4E)-1-benzyl-3-(3-ethylpyridin-1-ium-1-yl)-4-(3-isopropyl-5-keto-1-phenyl-2-pyrazolin-4-ylidene)-5-keto-2-pyrrolin-2-olate Formula: C30H28N4O3 MolecularWeight: 492.56832

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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)C(C)C)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)C(C)C)CC5=CC=CC=C5)[O-]

InChI

InChI=1S/C30H28N4O3/c1-4-21-14-11-17-32(18-21)27-25(28(35)33(30(27)37)19-22-12-7-5-8-13-22)24-26(20(2)3)31-34(29(24)36)23-15-9-6-10-16-23/h5-18,20H,4,19H2,1-3H3