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

Systemtic Name: 4-[(4Z)-3-methyl-4-[(5-nitrofuran-2-yl)methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4Z)-3-methyl-4-[(5-nitro-2-furyl)methylene]-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4Z)-3-methyl-4-[(5-nitro-2-furanyl)methylidene]-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4Z)-3-methyl-4-[(5-nitrofuran-2-yl)methylidene]-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4Z)-5-keto-3-methyl-4-[(5-nitro-2-furyl)methylene]-2-pyrazolin-1-yl]benzoic acid Formula: C16H11N3O6 MolecularWeight: 341.27504

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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)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H11N3O6/c1-9-13(8-12-6-7-14(25-12)19(23)24)15(20)18(17-9)11-4-2-10(3-5-11)16(21)22/h2-8H,1H3,(H,21,22)/b13-8-