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

Systemtic Name: (4E)-3-(4-ethylpyridin-1-ium-1-yl)-1-(2-methylpropyl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propan-2-yl-pyrazol-4-ylidene)pyrrol-2-olate Openeye Name: (4E)-3-(4-ethylpyridin-1-ium-1-yl)-1-isobutyl-4-(3-isopropyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-5-oxo-pyrrol-2-olate CAS Name: (4E)-3-(4-ethyl-1-pyridin-1-iumyl)-1-(2-methylpropyl)-5-oxo-4-(5-oxo-1-phenyl-3-propan-2-yl-4-pyrazolylidene)-2-pyrrololate IUPAC Name: (4E)-3-(4-ethylpyridin-1-ium-1-yl)-1-(2-methylpropyl)-5-oxo-4-(5-oxo-1-phenyl-3-propan-2-ylpyrazol-4-ylidene)pyrrol-2-olate Traditional Name: (4E)-3-(4-ethylpyridin-1-ium-1-yl)-1-isobutyl-4-(3-isopropyl-5-keto-1-phenyl-2-pyrazolin-4-ylidene)-5-keto-2-pyrrolin-2-olate Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O3/c1-6-19-12-14-29(15-13-19)24-22(25(32)30(27(24)34)16-17(2)3)21-23(18(4)5)28-31(26(21)33)20-10-8-7-9-11-20/h7-15,17-18H,6,16H2,1-5H3