2-[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]ethanoate

Systemtic Name: 2-[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]ethanoate Openeye Name: 2-[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]acetate CAS Name: 2-[3,5-dimethyl-1-(4-nitrophenyl)-4-pyrazolyl]acetate IUPAC Name: 2-[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]acetate Traditional Name: 2-[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]acetate Formula: C13H12N3O4- MolecularWeight: 274.25208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C)CC(=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C)CC(=O)[O-]

InChI

InChI=1S/C13H13N3O4/c1-8-12(7-13(17)18)9(2)15(14-8)10-3-5-11(6-4-10)16(19)20/h3-6H,7H2,1-2H3,(H,17,18)/p-1