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

Systemtic Name: 2-chloranyl-5-[3-methylidene-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-5-oxidanylidene-pyrazolidin-1-yl]benzoic acid Openeye Name: 2-chloro-5-[3-methylene-4-[[5-(2-nitrophenyl)-2-furyl]methylene]-5-oxo-pyrazolidin-1-yl]benzoic acid CAS Name: 2-chloro-5-[3-methylene-4-[[5-(2-nitrophenyl)-2-furanyl]methylidene]-5-oxo-1-pyrazolidinyl]benzoic acid IUPAC Name: 2-chloro-5-[3-methylidene-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-5-oxopyrazolidin-1-yl]benzoic acid Traditional Name: 2-chloro-5-[5-keto-3-methylene-4-[[5-(2-nitrophenyl)-2-furyl]methylene]pyrazolidin-1-yl]benzoic acid Formula: C22H14ClN3O6 MolecularWeight: 451.81606

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(=CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])C(=O)N(N1)C4=CC(=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C=C1C(=CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])C(=O)N(N1)C4=CC(=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C22H14ClN3O6/c1-12-16(21(27)25(24-12)13-6-8-18(23)17(10-13)22(28)29)11-14-7-9-20(32-14)15-4-2-3-5-19(15)26(30)31/h2-11,24H,1H2,(H,28,29)