[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(2-ethyl-4-nitro-pyrazol-3-yl)methanone

Systemtic Name: [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(2-ethyl-4-nitro-pyrazol-3-yl)methanone Openeye Name: [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(2-ethyl-4-nitro-pyrazol-3-yl)methanone CAS Name: [(2S,6S)-2,6-dimethyl-4-morpholinyl]-(2-ethyl-4-nitro-3-pyrazolyl)methanone IUPAC Name: [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(2-ethyl-4-nitropyrazol-3-yl)methanone Traditional Name: [(2S,6S)-2,6-dimethylmorpholino]-(2-ethyl-4-nitro-pyrazol-3-yl)methanone Formula: C12H18N4O4 MolecularWeight: 282.29572

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)N2CC(OC(C2)C)C

Isomeric SMILES

CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)N2C[C@@H](O[C@H](C2)C)C

InChI

InChI=1S/C12H18N4O4/c1-4-15-11(10(5-13-15)16(18)19)12(17)14-6-8(2)20-9(3)7-14/h5,8-9H,4,6-7H2,1-3H3/t8-,9-/m0/s1