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

Systemtic Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: (5-methyl-2-phenyl-oxazol-4-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid (5-methyl-2-phenyl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid (5-methyl-2-phenyl-oxazol-4-yl)methyl ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC2=C(OC(=N2)C3=CC=CC=C3)C)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC2=C(OC(=N2)C3=CC=CC=C3)C)[N+](=O)[O-])OC

InChI

InChI=1S/C21H20N2O7/c1-4-28-19-10-15(17(23(25)26)11-18(19)27-3)21(24)29-12-16-13(2)30-20(22-16)14-8-6-5-7-9-14/h5-11H,4,12H2,1-3H3