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

Systemtic Name: 4-[(4E)-3-methyl-4-[(5-nitrofuran-2-yl)methylidene]-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[(4E)-3-methyl-4-[(5-nitro-2-furyl)methylene]-5-oxo-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[(4E)-3-methyl-4-[(5-nitro-2-furanyl)methylidene]-5-oxo-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 4-[(4E)-3-methyl-4-[(5-nitrofuran-2-yl)methylidene]-5-oxopyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[(4E)-5-keto-3-methyl-4-[(5-nitro-2-furyl)methylene]-2-pyrazolin-1-yl]besylic acid Formula: C15H11N3O7S MolecularWeight: 377.32874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11N3O7S/c1-9-13(8-11-4-7-14(25-11)18(20)21)15(19)17(16-9)10-2-5-12(6-3-10)26(22,23)24/h2-8H,1H3,(H,22,23,24)/b13-8+