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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=NN2C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)NC2=CC=NN2C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O5/c1-10(2)20-15(7-8-18-20)19-16(22)12(4)26-17(23)13-6-5-11(3)14(9-13)21(24)25/h5-10,12H,1-4H3,(H,19,22)/t12-/m1/s1