3-[4-[[5-(3-butoxycarbonyl-4-chloranyl-phenyl)furan-2-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoate

Systemtic Name: 3-[4-[[5-(3-butoxycarbonyl-4-chloranyl-phenyl)furan-2-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoate Openeye Name: 3-[4-[[5-(3-butoxycarbonyl-4-chloro-phenyl)-2-furyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoate CAS Name: 3-[4-[[5-[3-[butoxy(oxo)methyl]-4-chlorophenyl]-2-furanyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoate IUPAC Name: 3-[4-[[5-(3-butoxycarbonyl-4-chlorophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoate Traditional Name: 3-[4-[[5-(3-butoxycarbonyl-4-chloro-phenyl)-2-furyl]methylene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoate Formula: C27H22ClN2O6- MolecularWeight: 505.92638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=CC(=C4)C(=O)[O-])C)Cl

Isomeric SMILES

CCCCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=CC(=C4)C(=O)[O-])C)Cl

InChI

InChI=1S/C27H23ClN2O6/c1-3-4-12-35-27(34)22-14-17(8-10-23(22)28)24-11-9-20(36-24)15-21-16(2)29-30(25(21)31)19-7-5-6-18(13-19)26(32)33/h5-11,13-15H,3-4,12H2,1-2H3,(H,32,33)/p-1