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

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: (2-morpholino-2-oxo-ethyl) 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid (2-keto-2-morpholino-ethyl) ester Formula: C13H18N4O6 MolecularWeight: 326.30522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCC(=O)N2CCOCC2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCC(=O)N2CCOCC2)C)[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O6/c1-9-13(17(20)21)10(2)16(14-9)7-12(19)23-8-11(18)15-3-5-22-6-4-15/h3-8H2,1-2H3