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

Systemtic Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: (5-methyl-2-phenyl-oxazol-4-yl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid (5-methyl-2-phenyl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid (5-methyl-2-phenyl-oxazol-4-yl)methyl ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCOC

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCOC

InChI

InChI=1S/C21H21N3O6/c1-14-19(23-20(30-14)15-6-4-3-5-7-15)13-29-21(25)17-12-16(24(26)27)8-9-18(17)22-10-11-28-2/h3-9,12,22H,10-11,13H2,1-2H3