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

Systemtic Name: [(1R)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [(1R)-2-morpholino-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-(4-morpholinyl)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-morpholin-4-yl-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-keto-2-morpholino-1-phenyl-ethyl] ester Formula: C19H22N4O6 MolecularWeight: 402.40118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OC(C2=CC=CC=C2)C(=O)N3CCOCC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)O[C@H](C2=CC=CC=C2)C(=O)N3CCOCC3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O6/c1-13-17(23(26)27)14(2)22(20-13)12-16(24)29-18(15-6-4-3-5-7-15)19(25)21-8-10-28-11-9-21/h3-7,18H,8-12H2,1-2H3/t18-/m1/s1