4-[(4E)-3-methyl-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[(4E)-3-methyl-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[(4E)-3-methyl-4-[[5-(4-nitrophenyl)-2-furyl]methylene]-5-oxo-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[(4E)-3-methyl-4-[[5-(4-nitrophenyl)-2-furanyl]methylidene]-5-oxo-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 4-[(4E)-3-methyl-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-oxopyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[(4E)-5-keto-3-methyl-4-[[5-(4-nitrophenyl)-2-furyl]methylene]-2-pyrazolin-1-yl]besylic acid Formula: C21H15N3O7S MolecularWeight: 453.4247

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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=C(C=C4)S(=O)(=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=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C21H15N3O7S/c1-13-19(21(25)23(22-13)15-6-9-18(10-7-15)32(28,29)30)12-17-8-11-20(31-17)14-2-4-16(5-3-14)24(26)27/h2-12H,1H3,(H,28,29,30)/b19-12+