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

Systemtic Name: 3-(3-ethylpyridin-1-ium-1-yl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propyl-pyrazol-4-ylidene)-1-(phenylmethyl)pyrrol-2-olate Openeye Name: 1-benzyl-3-(3-ethylpyridin-1-ium-1-yl)-5-oxo-4-(5-oxo-1-phenyl-3-propyl-pyrazol-4-ylidene)pyrrol-2-olate CAS Name: 3-(3-ethyl-1-pyridin-1-iumyl)-5-oxo-4-(5-oxo-1-phenyl-3-propyl-4-pyrazolylidene)-1-(phenylmethyl)-2-pyrrololate IUPAC Name: 1-benzyl-3-(3-ethylpyridin-1-ium-1-yl)-5-oxo-4-(5-oxo-1-phenyl-3-propylpyrazol-4-ylidene)pyrrol-2-olate Traditional Name: 1-benzyl-3-(3-ethylpyridin-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)CC)C5=CC=CC=C5

Isomeric SMILES

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

InChI

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