[(2S)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: [(2S)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [(1S)-2-(cyclopropylamino)-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 [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclopropylamino)-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 [(1S)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H18N4O5 MolecularWeight: 310.30582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OC(C)C(=O)NC2CC2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)O[C@@H](C)C(=O)NC2CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O5/c1-7-12(17(20)21)8(2)16(15-7)6-11(18)22-9(3)13(19)14-10-4-5-10/h9-10H,4-6H2,1-3H3,(H,14,19)/t9-/m0/s1