[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [3-(4-methoxyphenyl)isoxazol-5-yl]methyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [3-(4-methoxyphenyl)-5-isoxazolyl]methyl ester IUPAC Name: [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [3-(4-methoxyphenyl)isoxazol-5-yl]methyl ester Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)OCC2=CC(=NO2)C3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OCC2=CC(=NO2)C3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O6/c1-22(2)18-9-6-14(10-19(18)23(25)26)20(24)28-12-16-11-17(21-29-16)13-4-7-15(27-3)8-5-13/h4-11H,12H2,1-3H3