2-[2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-5-nitro-3-oxidanylidene-indazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-5-nitro-3-oxidanylidene-indazol-1-yl]ethanoic acid Openeye Name: 2-[2-[(4-bromo-2-fluoro-phenyl)methyl]-5-nitro-3-oxo-indazol-1-yl]acetic acid CAS Name: 2-[2-[(4-bromo-2-fluorophenyl)methyl]-5-nitro-3-oxo-1-indazolyl]acetic acid IUPAC Name: 2-[2-[(4-bromo-2-fluorophenyl)methyl]-5-nitro-3-oxoindazol-1-yl]acetic acid Traditional Name: 2-[2-(4-bromo-2-fluoro-benzyl)-3-keto-5-nitro-indazolin-1-yl]acetic acid Formula: C16H11BrFN3O5 MolecularWeight: 424.178043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(N2CC(=O)O)CC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(N2CC(=O)O)CC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C16H11BrFN3O5/c17-10-2-1-9(13(18)5-10)7-20-16(24)12-6-11(21(25)26)3-4-14(12)19(20)8-15(22)23/h1-6H,7-8H2,(H,22,23)