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

Systemtic Name: 3-[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]propanoate Openeye Name: 3-[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]propanoate CAS Name: 3-[3,5-dimethyl-1-(4-nitrophenyl)-4-pyrazolyl]propanoate IUPAC Name: 3-[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]propanoate Traditional Name: 3-[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]propionate Formula: C14H14N3O4- MolecularWeight: 288.27866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O4/c1-9-13(7-8-14(18)19)10(2)16(15-9)11-3-5-12(6-4-11)17(20)21/h3-6H,7-8H2,1-2H3,(H,18,19)/p-1