[(2R)-1-[tert-butyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: [(2R)-1-[tert-butyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [(1R)-2-[benzyl(tert-butyl)amino]-1-methyl-2-oxo-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid [(2R)-1-[tert-butyl-(phenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[benzyl(tert-butyl)amino]-1-oxopropan-2-yl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid [(1R)-2-[benzyl(tert-butyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OC(C)C(=O)N(CC2=CC=CC=C2)C(C)(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)O[C@H](C)C(=O)N(CC2=CC=CC=C2)C(C)(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O5/c1-14-19(25(28)29)15(2)24(22-14)13-18(26)30-16(3)20(27)23(21(4,5)6)12-17-10-8-7-9-11-17/h7-11,16H,12-13H2,1-6H3/t16-/m1/s1