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

Systemtic Name: [(2R)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-methyl-3-nitro-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [(2R)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [(1R)-2-keto-1-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] ester Formula: C17H20N4O5 MolecularWeight: 360.3645

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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=C(N(N=C2C)C)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)O[C@H](C)C(=O)NC2=C(N(N=C2C)C)C

InChI

InChI=1S/C17H20N4O5/c1-9-13(7-6-8-14(9)21(24)25)17(23)26-12(4)16(22)18-15-10(2)19-20(5)11(15)3/h6-8,12H,1-5H3,(H,18,22)/t12-/m1/s1