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

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C16H19N3O6 MolecularWeight: 349.33856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCOC

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCOC

InChI

InChI=1S/C16H19N3O6/c1-10-14(11(2)25-18-10)9-24-16(20)13-8-12(19(21)22)4-5-15(13)17-6-7-23-3/h4-5,8,17H,6-7,9H2,1-3H3