3-[(4Z)-3-methylidene-4-[[5-(5-nitro-2-oxidanyl-phenyl)furan-2-yl]methylidene]-5-oxidanylidene-pyrazolidin-1-yl]benzoic acid

Systemtic Name: 3-[(4Z)-3-methylidene-4-[[5-(5-nitro-2-oxidanyl-phenyl)furan-2-yl]methylidene]-5-oxidanylidene-pyrazolidin-1-yl]benzoic acid Openeye Name: 3-[(4Z)-4-[[5-(2-hydroxy-5-nitro-phenyl)-2-furyl]methylene]-3-methylene-5-oxo-pyrazolidin-1-yl]benzoic acid CAS Name: 3-[(4Z)-4-[[5-(2-hydroxy-5-nitrophenyl)-2-furanyl]methylidene]-3-methylene-5-oxo-1-pyrazolidinyl]benzoic acid IUPAC Name: 3-[(4Z)-4-[[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylidene]-3-methylidene-5-oxopyrazolidin-1-yl]benzoic acid Traditional Name: 3-[(4Z)-4-[[5-(2-hydroxy-5-nitro-phenyl)-2-furyl]methylene]-5-keto-3-methylene-pyrazolidin-1-yl]benzoic acid Formula: C22H15N3O7 MolecularWeight: 433.3704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C=C1/C(=C/C2=CC=C(O2)C3=C(C=CC(=C3)[N+](=O)[O-])O)/C(=O)N(N1)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C22H15N3O7/c1-12-17(21(27)24(23-12)14-4-2-3-13(9-14)22(28)29)11-16-6-8-20(32-16)18-10-15(25(30)31)5-7-19(18)26/h2-11,23,26H,1H2,(H,28,29)/b17-11-