4-[1-(2,3-dimethylphenyl)-3-ethyl-5-oxidanylidene-pyrazol-4-ylidene]-3-(4-methylpyridin-1-ium-1-yl)-5-oxidanylidene-1-(phenylmethyl)pyrrol-2-olate

Systemtic Name: 4-[1-(2,3-dimethylphenyl)-3-ethyl-5-oxidanylidene-pyrazol-4-ylidene]-3-(4-methylpyridin-1-ium-1-yl)-5-oxidanylidene-1-(phenylmethyl)pyrrol-2-olate Openeye Name: 1-benzyl-4-[1-(2,3-dimethylphenyl)-3-ethyl-5-oxo-pyrazol-4-ylidene]-3-(4-methylpyridin-1-ium-1-yl)-5-oxo-pyrrol-2-olate CAS Name: 4-[1-(2,3-dimethylphenyl)-3-ethyl-5-oxo-4-pyrazolylidene]-3-(4-methyl-1-pyridin-1-iumyl)-5-oxo-1-(phenylmethyl)-2-pyrrololate IUPAC Name: 1-benzyl-4-[1-(2,3-dimethylphenyl)-3-ethyl-5-oxopyrazol-4-ylidene]-3-(4-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate Traditional Name: 1-benzyl-4-[1-(2,3-dimethylphenyl)-3-ethyl-5-keto-2-pyrazolin-4-ylidene]-5-keto-3-(4-methylpyridin-1-ium-1-yl)-2-pyrrolin-2-olate Formula: C30H28N4O3 MolecularWeight: 492.56832

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)CC3=CC=CC=C3)[O-])[N+]4=CC=C(C=C4)C)C5=CC=CC(=C5C)C

Isomeric SMILES

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)CC3=CC=CC=C3)[O-])[N+]4=CC=C(C=C4)C)C5=CC=CC(=C5C)C

InChI

InChI=1S/C30H28N4O3/c1-5-23-25(29(36)34(31-23)24-13-9-10-20(3)21(24)4)26-27(32-16-14-19(2)15-17-32)30(37)33(28(26)35)18-22-11-7-6-8-12-22/h6-17H,5,18H2,1-4H3