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

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-azanyl-5-nitro-benzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C13H13N3O5 MolecularWeight: 291.25942

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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-])N

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O5/c1-7-11(8(2)21-15-7)6-20-13(17)10-5-9(16(18)19)3-4-12(10)14/h3-5H,6,14H2,1-2H3