2-[3-(4-bromophenyl)-5-[(2-methoxy-5-nitro-phenyl)carbamoyl]-4H-1,2-oxazol-5-yl]ethanoic acid

Systemtic Name: 2-[3-(4-bromophenyl)-5-[(2-methoxy-5-nitro-phenyl)carbamoyl]-4H-1,2-oxazol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-bromophenyl)-5-[(2-methoxy-5-nitro-phenyl)carbamoyl]-4H-isoxazol-5-yl]acetic acid CAS Name: 2-[3-(4-bromophenyl)-5-[(2-methoxy-5-nitroanilino)-oxomethyl]-4H-isoxazol-5-yl]acetic acid IUPAC Name: 2-[3-(4-bromophenyl)-5-[(2-methoxy-5-nitrophenyl)carbamoyl]-4H-1,2-oxazol-5-yl]acetic acid Traditional Name: 2-[3-(4-bromophenyl)-5-[(2-methoxy-5-nitro-phenyl)carbamoyl]-2-isoxazolin-5-yl]acetic acid Formula: C19H16BrN3O7 MolecularWeight: 478.25024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2(CC(=NO2)C3=CC=C(C=C3)Br)CC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2(CC(=NO2)C3=CC=C(C=C3)Br)CC(=O)O

InChI

InChI=1S/C19H16BrN3O7/c1-29-16-7-6-13(23(27)28)8-14(16)21-18(26)19(10-17(24)25)9-15(22-30-19)11-2-4-12(20)5-3-11/h2-8H,9-10H2,1H3,(H,21,26)(H,24,25)