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

Systemtic Name: [(1S)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [(1S)-2-(diethylamino)-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 [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(diethylamino)-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 [(1S)-2-(diethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C19H24N4O5 MolecularWeight: 388.41766

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C1=CC=CC=C1)OC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CCN(CC)C(=O)[C@H](C1=CC=CC=C1)OC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C19H24N4O5/c1-5-21(6-2)19(25)18(15-10-8-7-9-11-15)28-16(24)12-22-14(4)17(23(26)27)13(3)20-22/h7-11,18H,5-6,12H2,1-4H3/t18-/m0/s1