(4-aminocarbonyl-2-nitro-phenyl)methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 4-[(3,5-dimethylisoxazol-4-yl)methoxy]benzoate CAS Name: 4-[(3,5-dimethyl-4-isoxazolyl)methoxy]benzoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate Traditional Name: 4-[(3,5-dimethylisoxazol-4-yl)methoxy]benzoic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C21H19N3O7 MolecularWeight: 425.39146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O7/c1-12-18(13(2)31-23-12)11-29-17-7-5-14(6-8-17)21(26)30-10-16-4-3-15(20(22)25)9-19(16)24(27)28/h3-9H,10-11H2,1-2H3,(H2,22,25)