(4-aminocarbonyl-2-nitro-phenyl)methyl 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 3-[5-(3,4-dimethylphenyl)oxazol-2-yl]propanoate CAS Name: 3-[5-(3,4-dimethylphenyl)-2-oxazolyl]propanoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanoate Traditional Name: 3-[5-(3,4-dimethylphenyl)oxazol-2-yl]propionic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CN=C(O2)CCC(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CN=C(O2)CCC(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C

InChI

InChI=1S/C22H21N3O6/c1-13-3-4-15(9-14(13)2)19-11-24-20(31-19)7-8-21(26)30-12-17-6-5-16(22(23)27)10-18(17)25(28)29/h3-6,9-11H,7-8,12H2,1-2H3,(H2,23,27)