5-[(4Z)-4-[[5-(2-bromanyl-4-nitro-phenyl)furan-2-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]-2-chloranyl-benzoic acid

Systemtic Name: 5-[(4Z)-4-[[5-(2-bromanyl-4-nitro-phenyl)furan-2-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]-2-chloranyl-benzoic acid Openeye Name: 5-[(4Z)-4-[[5-(2-bromo-4-nitro-phenyl)-2-furyl]methylene]-3-methyl-5-oxo-pyrazol-1-yl]-2-chloro-benzoic acid CAS Name: 5-[(4Z)-4-[[5-(2-bromo-4-nitrophenyl)-2-furanyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]-2-chlorobenzoic acid IUPAC Name: 5-[(4Z)-4-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]-2-chlorobenzoic acid Traditional Name: 5-[(4Z)-4-[[5-(2-bromo-4-nitro-phenyl)-2-furyl]methylene]-5-keto-3-methyl-2-pyrazolin-1-yl]-2-chloro-benzoic acid Formula: C22H13BrClN3O6 MolecularWeight: 530.71212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Br)C4=CC(=C(C=C4)Cl)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Br)C4=CC(=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C22H13BrClN3O6/c1-11-16(21(28)26(25-11)12-3-6-19(24)17(8-12)22(29)30)10-14-4-7-20(33-14)15-5-2-13(27(31)32)9-18(15)23/h2-10H,1H3,(H,29,30)/b16-10-