[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-6-nitro-benzoate

Systemtic Name: [1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-6-nitro-benzoate Openeye Name: [1-methyl-2-[(3-methylisoxazol-5-yl)amino]-2-oxo-ethyl] 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [1-[(3-methyl-5-isoxazolyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [2-keto-1-methyl-2-[(3-methylisoxazol-5-yl)amino]ethyl] ester Formula: C15H15N3O6 MolecularWeight: 333.2961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)NC2=CC(=NO2)C

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)NC2=CC(=NO2)C

InChI

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