2-(3-methyl-4-nitro-phenoxy)-1-pyrazol-1-yl-ethanone

Systemtic Name: 2-(3-methyl-4-nitro-phenoxy)-1-pyrazol-1-yl-ethanone Openeye Name: 2-(3-methyl-4-nitro-phenoxy)-1-pyrazol-1-yl-ethanone CAS Name: 2-(3-methyl-4-nitrophenoxy)-1-(1-pyrazolyl)ethanone IUPAC Name: 2-(3-methyl-4-nitrophenoxy)-1-pyrazol-1-ylethanone Traditional Name: 2-(3-methyl-4-nitro-phenoxy)-1-pyrazol-1-yl-ethanone Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)N2C=CC=N2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)N2C=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O4/c1-9-7-10(3-4-11(9)15(17)18)19-8-12(16)14-6-2-5-13-14/h2-7H,8H2,1H3