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

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: (5-methylisoxazol-3-yl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid (5-methyl-3-isoxazolyl)methyl ester IUPAC Name: (5-methyl-1,2-oxazol-3-yl)methyl 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid (5-methylisoxazol-3-yl)methyl ester Formula: C14H15N3O6 MolecularWeight: 321.2854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O6/c1-9-6-10(16-23-9)8-22-14(19)12-7-11(17(20)21)2-3-13(12)15-4-5-18/h2-3,6-7,15,18H,4-5,8H2,1H3