(2R)-1-(3,5-dimethylpyrazol-1-yl)-2-(3-methyl-4-nitro-phenoxy)butan-1-one

Systemtic Name: (2R)-1-(3,5-dimethylpyrazol-1-yl)-2-(3-methyl-4-nitro-phenoxy)butan-1-one Openeye Name: (2R)-1-(3,5-dimethylpyrazol-1-yl)-2-(3-methyl-4-nitro-phenoxy)butan-1-one CAS Name: (2R)-1-(3,5-dimethyl-1-pyrazolyl)-2-(3-methyl-4-nitrophenoxy)-1-butanone IUPAC Name: (2R)-1-(3,5-dimethylpyrazol-1-yl)-2-(3-methyl-4-nitrophenoxy)butan-1-one Traditional Name: (2R)-1-(3,5-dimethylpyrazol-1-yl)-2-(3-methyl-4-nitro-phenoxy)butan-1-one Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1C(=CC(=N1)C)C)OC2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC[C@H](C(=O)N1C(=CC(=N1)C)C)OC2=CC(=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H19N3O4/c1-5-15(16(20)18-12(4)9-11(3)17-18)23-13-6-7-14(19(21)22)10(2)8-13/h6-9,15H,5H2,1-4H3/t15-/m1/s1