2-[3-methyl-5-(2-nitrophenyl)pyrazol-1-yl]ethanoic acid

Systemtic Name: 2-[3-methyl-5-(2-nitrophenyl)pyrazol-1-yl]ethanoic acid Openeye Name: 2-[3-methyl-5-(2-nitrophenyl)pyrazol-1-yl]acetic acid CAS Name: 2-[3-methyl-5-(2-nitrophenyl)-1-pyrazolyl]acetic acid IUPAC Name: 2-[3-methyl-5-(2-nitrophenyl)pyrazol-1-yl]acetic acid Traditional Name: 2-[3-methyl-5-(2-nitrophenyl)pyrazol-1-yl]acetic acid Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C2=CC=CC=C2[N+](=O)[O-])CC(=O)O

Isomeric SMILES

CC1=NN(C(=C1)C2=CC=CC=C2[N+](=O)[O-])CC(=O)O

InChI

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