(5-phenyl-1,3-oxazol-2-yl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: (5-phenyl-1,3-oxazol-2-yl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: (5-phenyloxazol-2-yl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid (5-phenyl-2-oxazolyl)methyl ester IUPAC Name: (5-phenyl-1,3-oxazol-2-yl)methyl 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid (5-phenyloxazol-2-yl)methyl ester Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)OCC2=NC=C(O2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)OCC2=NC=C(O2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O6/c1-27-10-9-21-16-8-7-15(11-17(16)23(25)26)20(24)28-13-19-22-12-18(29-19)14-5-3-2-4-6-14/h2-8,11-12,21H,9-10,13H2,1H3