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

Systemtic Name: 3-[3,5-dimethyl-1-(3-nitrophenyl)pyrazol-4-yl]propanoic acid Openeye Name: 3-[3,5-dimethyl-1-(3-nitrophenyl)pyrazol-4-yl]propanoic acid CAS Name: 3-[3,5-dimethyl-1-(3-nitrophenyl)-4-pyrazolyl]propanoic acid IUPAC Name: 3-[3,5-dimethyl-1-(3-nitrophenyl)pyrazol-4-yl]propanoic acid Traditional Name: 3-[3,5-dimethyl-1-(3-nitrophenyl)pyrazol-4-yl]propionic acid Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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