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

Systemtic Name: 4-[3-methylidene-4-[(5-nitrofuran-2-yl)methylidene]-5-oxidanylidene-pyrazolidin-1-yl]benzoic acid Openeye Name: 4-[3-methylene-4-[(5-nitro-2-furyl)methylene]-5-oxo-pyrazolidin-1-yl]benzoic acid CAS Name: 4-[3-methylene-4-[(5-nitro-2-furanyl)methylidene]-5-oxo-1-pyrazolidinyl]benzoic acid IUPAC Name: 4-[3-methylidene-4-[(5-nitrofuran-2-yl)methylidene]-5-oxopyrazolidin-1-yl]benzoic acid Traditional Name: 4-[5-keto-3-methylene-4-[(5-nitro-2-furyl)methylene]pyrazolidin-1-yl]benzoic acid Formula: C16H11N3O6 MolecularWeight: 341.27504

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(=CC2=CC=C(O2)[N+](=O)[O-])C(=O)N(N1)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C=C1C(=CC2=CC=C(O2)[N+](=O)[O-])C(=O)N(N1)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/h2-8,17H,1H2,(H,21,22)