[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-4-nitro-benzoate

Systemtic Name: [1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-4-nitro-benzoate Openeye Name: [1-methyl-2-[(3-methylisoxazol-5-yl)amino]-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-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] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-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)C(=O)OC(C)C(=O)NC2=CC(=NO2)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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