(4E)-3-(3,5-dimethylpyridin-1-ium-1-yl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propyl-pyrazol-4-ylidene)-1-(phenylmethyl)pyrrol-2-olate

Systemtic Name: (4E)-3-(3,5-dimethylpyridin-1-ium-1-yl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propyl-pyrazol-4-ylidene)-1-(phenylmethyl)pyrrol-2-olate Openeye Name: (4E)-1-benzyl-3-(3,5-dimethylpyridin-1-ium-1-yl)-5-oxo-4-(5-oxo-1-phenyl-3-propyl-pyrazol-4-ylidene)pyrrol-2-olate CAS Name: (4E)-3-(3,5-dimethyl-1-pyridin-1-iumyl)-5-oxo-4-(5-oxo-1-phenyl-3-propyl-4-pyrazolylidene)-1-(phenylmethyl)-2-pyrrololate IUPAC Name: (4E)-1-benzyl-3-(3,5-dimethylpyridin-1-ium-1-yl)-5-oxo-4-(5-oxo-1-phenyl-3-propylpyrazol-4-ylidene)pyrrol-2-olate Traditional Name: (4E)-1-benzyl-3-(3,5-dimethylpyridin-1-ium-1-yl)-5-keto-4-(5-keto-1-phenyl-3-propyl-2-pyrazolin-4-ylidene)-2-pyrrolin-2-olate Formula: C30H28N4O3 MolecularWeight: 492.56832

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C2C(=C(N(C2=O)CC3=CC=CC=C3)[O-])[N+]4=CC(=CC(=C4)C)C)C5=CC=CC=C5

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/2\C(=C(N(C2=O)CC3=CC=CC=C3)[O-])[N+]4=CC(=CC(=C4)C)C)C5=CC=CC=C5

InChI

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