3-[(4Z)-3-methyl-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoate

Systemtic Name: 3-[(4Z)-3-methyl-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoate Openeye Name: 3-[(4Z)-3-methyl-4-[[5-(4-nitrophenyl)-2-furyl]methylene]-5-oxo-pyrazol-1-yl]benzoate CAS Name: 3-[(4Z)-3-methyl-4-[[5-(4-nitrophenyl)-2-furanyl]methylidene]-5-oxo-1-pyrazolyl]benzoate IUPAC Name: 3-[(4Z)-3-methyl-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-oxopyrazol-1-yl]benzoate Traditional Name: 3-[(4Z)-5-keto-3-methyl-4-[[5-(4-nitrophenyl)-2-furyl]methylene]-2-pyrazolin-1-yl]benzoate Formula: C22H14N3O6- MolecularWeight: 416.36306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC(=C4)C(=O)[O-]

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC(=C4)C(=O)[O-]

InChI

InChI=1S/C22H15N3O6/c1-13-19(21(26)24(23-13)17-4-2-3-15(11-17)22(27)28)12-18-9-10-20(31-18)14-5-7-16(8-6-14)25(29)30/h2-12H,1H3,(H,27,28)/p-1/b19-12-