(3-methyl-1,2-oxazol-5-yl)methyl 2-(methylamino)-5-nitro-benzoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC

Isomeric SMILES

CC1=NOC(=C1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC

InChI

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