[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C18H20N4O5 MolecularWeight: 372.3752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O5/c1-11-16(22(25)26)12(2)21(20-11)10-15(23)27-17(13-6-4-3-5-7-13)18(24)19-14-8-9-14/h3-7,14,17H,8-10H2,1-2H3,(H,19,24)/t17-/m1/s1