4-[1-(3-chlorophenyl)-5-oxidanylidene-3-propan-2-yl-pyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-1-(2-methylpropyl)-5-oxidanylidene-pyrrol-2-olate

Systemtic Name: 4-[1-(3-chlorophenyl)-5-oxidanylidene-3-propan-2-yl-pyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-1-(2-methylpropyl)-5-oxidanylidene-pyrrol-2-olate Openeye Name: 4-[1-(3-chlorophenyl)-3-isopropyl-5-oxo-pyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-1-isobutyl-5-oxo-pyrrol-2-olate CAS Name: 4-[1-(3-chlorophenyl)-5-oxo-3-propan-2-yl-4-pyrazolylidene]-3-(4-ethyl-1-pyridin-1-iumyl)-1-(2-methylpropyl)-5-oxo-2-pyrrololate IUPAC Name: 4-[1-(3-chlorophenyl)-5-oxo-3-propan-2-ylpyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-1-(2-methylpropyl)-5-oxopyrrol-2-olate Traditional Name: 4-[1-(3-chlorophenyl)-3-isopropyl-5-keto-2-pyrazolin-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-1-isobutyl-5-keto-2-pyrrolin-2-olate Formula: C27H29ClN4O3 MolecularWeight: 492.99716

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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)Cl)C(C)C)CC(C)C)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C27H29ClN4O3/c1-6-18-10-12-30(13-11-18)24-22(25(33)31(27(24)35)15-16(2)3)21-23(17(4)5)29-32(26(21)34)20-9-7-8-19(28)14-20/h7-14,16-17H,6,15H2,1-5H3