1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propan-1-one

Systemtic Name: 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propan-1-one Openeye Name: 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propan-1-one CAS Name: 1-[(2S,6S)-2,6-dimethyl-4-morpholinyl]-3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-propanone IUPAC Name: 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propan-1-one Traditional Name: 1-[(2S,6S)-2,6-dimethylmorpholino]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propan-1-one Formula: C14H22N4O4 MolecularWeight: 310.34888

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C(=O)CCN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1CN(C[C@@H](O1)C)C(=O)CCN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C14H22N4O4/c1-9-7-16(8-10(2)22-9)13(19)5-6-17-12(4)14(18(20)21)11(3)15-17/h9-10H,5-8H2,1-4H3/t9-,10-/m0/s1