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

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C16H18N2O7 MolecularWeight: 350.32332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC2=C(ON=C2C)C)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC2=C(ON=C2C)C)[N+](=O)[O-])OC

InChI

InChI=1S/C16H18N2O7/c1-5-23-15-6-11(13(18(20)21)7-14(15)22-4)16(19)24-8-12-9(2)17-25-10(12)3/h6-7H,5,8H2,1-4H3