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

Systemtic Name: (3-methyl-1,2-oxazol-5-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: (3-methylisoxazol-5-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid (3-methyl-5-isoxazolyl)methyl ester IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methyl 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid (3-methylisoxazol-5-yl)methyl ester Formula: C15H16N2O7 MolecularWeight: 336.29674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC2=CC(=NO2)C)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC2=CC(=NO2)C)[N+](=O)[O-])OC

InChI

InChI=1S/C15H16N2O7/c1-4-22-14-6-11(12(17(19)20)7-13(14)21-3)15(18)23-8-10-5-9(2)16-24-10/h5-7H,4,8H2,1-3H3