[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-3-nitro-benzoate

Systemtic Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-3-nitro-benzoate Openeye Name: [1-methyl-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [1-[(5-methyl-3-isoxazolyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-keto-1-methyl-2-[(5-methylisoxazol-3-yl)amino]ethyl] ester Formula: C15H15N3O6 MolecularWeight: 333.2961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O6/c1-8-7-13(17-24-8)16-14(19)10(3)23-15(20)11-5-4-6-12(9(11)2)18(21)22/h4-7,10H,1-3H3,(H,16,17,19)