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

Systemtic Name: 2-[5-[(2-methoxy-5-nitro-phenyl)carbamoyl]-3-(4-prop-2-enoxyphenyl)-4H-1,2-oxazol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-allyloxyphenyl)-5-[(2-methoxy-5-nitro-phenyl)carbamoyl]-4H-isoxazol-5-yl]acetic acid CAS Name: 2-[5-[(2-methoxy-5-nitroanilino)-oxomethyl]-3-(4-prop-2-enoxyphenyl)-4H-isoxazol-5-yl]acetic acid IUPAC Name: 2-[5-[(2-methoxy-5-nitrophenyl)carbamoyl]-3-(4-prop-2-enoxyphenyl)-4H-1,2-oxazol-5-yl]acetic acid Traditional Name: 2-[3-(4-allyloxyphenyl)-5-[(2-methoxy-5-nitro-phenyl)carbamoyl]-2-isoxazolin-5-yl]acetic acid Formula: C22H21N3O8 MolecularWeight: 455.41744

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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)OCC=C)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O8/c1-3-10-32-16-7-4-14(5-8-16)18-12-22(33-24-18,13-20(26)27)21(28)23-17-11-15(25(29)30)6-9-19(17)31-2/h3-9,11H,1,10,12-13H2,2H3,(H,23,28)(H,26,27)