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

Systemtic Name: [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: [2-(4-methoxyphenyl)oxazol-4-yl]methyl 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid [2-(4-methoxyphenyl)-4-oxazolyl]methyl ester IUPAC Name: [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid [2-(4-methoxyphenyl)oxazol-4-yl]methyl ester Formula: C21H21N3O7 MolecularWeight: 427.40734

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=COC(=N2)C3=CC=C(C=C3)OC

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=COC(=N2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H21N3O7/c1-28-10-9-22-19-8-5-16(24(26)27)11-18(19)21(25)31-13-15-12-30-20(23-15)14-3-6-17(29-2)7-4-14/h3-8,11-12,22H,9-10,13H2,1-2H3