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

Systemtic Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate Openeye Name: [1-methyl-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-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-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-keto-1-methyl-2-[(5-methylisoxazol-3-yl)amino]ethyl] ester Formula: C14H13N3O6 MolecularWeight: 319.26952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O6/c1-8-7-12(16-23-8)15-13(18)9(2)22-14(19)10-5-3-4-6-11(10)17(20)21/h3-7,9H,1-2H3,(H,15,16,18)