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

Systemtic Name: 2-[3,5-dimethyl-1-(3-nitrophenyl)pyrazol-4-yl]ethanoic acid Openeye Name: 2-[3,5-dimethyl-1-(3-nitrophenyl)pyrazol-4-yl]acetic acid CAS Name: 2-[3,5-dimethyl-1-(3-nitrophenyl)-4-pyrazolyl]acetic acid IUPAC Name: 2-[3,5-dimethyl-1-(3-nitrophenyl)pyrazol-4-yl]acetic acid Traditional Name: 2-[3,5-dimethyl-1-(3-nitrophenyl)pyrazol-4-yl]acetic acid Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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