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

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: (5-phenylisoxazol-3-yl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC2=NOC(=C2)C3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC2=NOC(=C2)C3=CC=CC=C3)OC

InChI

InChI=1S/C20H18N2O7/c1-3-27-19-11-16(22(24)25)15(10-18(19)26-2)20(23)28-12-14-9-17(29-21-14)13-7-5-4-6-8-13/h4-11H,3,12H2,1-2H3