2-[5-[2,3-bis(bromanyl)-4-butoxy-5-nitro-phenyl]-4-methyl-1,3-oxazol-2-yl]-3-ethyl-benzoic acid

Systemtic Name: 2-[5-[2,3-bis(bromanyl)-4-butoxy-5-nitro-phenyl]-4-methyl-1,3-oxazol-2-yl]-3-ethyl-benzoic acid Openeye Name: 2-[5-(2,3-dibromo-4-butoxy-5-nitro-phenyl)-4-methyl-oxazol-2-yl]-3-ethyl-benzoic acid CAS Name: 2-[5-(2,3-dibromo-4-butoxy-5-nitrophenyl)-4-methyl-2-oxazolyl]-3-ethylbenzoic acid IUPAC Name: 2-[5-(2,3-dibromo-4-butoxy-5-nitrophenyl)-4-methyl-1,3-oxazol-2-yl]-3-ethylbenzoic acid Traditional Name: 2-[5-(2,3-dibromo-4-butoxy-5-nitro-phenyl)-4-methyl-oxazol-2-yl]-3-ethyl-benzoic acid Formula: C23H22Br2N2O6 MolecularWeight: 582.23858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C(=C1Br)Br)C2=C(N=C(O2)C3=C(C=CC=C3CC)C(=O)O)C)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=C(C=C(C(=C1Br)Br)C2=C(N=C(O2)C3=C(C=CC=C3CC)C(=O)O)C)[N+](=O)[O-]

InChI

InChI=1S/C23H22Br2N2O6/c1-4-6-10-32-21-16(27(30)31)11-15(18(24)19(21)25)20-12(3)26-22(33-20)17-13(5-2)8-7-9-14(17)23(28)29/h7-9,11H,4-6,10H2,1-3H3,(H,28,29)