3-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzoic acid

Systemtic Name: 3-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzoic acid Openeye Name: 3-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzoic acid CAS Name: 3-[(5-methyl-3-nitro-1-pyrazolyl)methyl]benzoic acid IUPAC Name: 3-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoic acid Traditional Name: 3-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzoic acid Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=CC(=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CC2=CC=CC(=C2)C(=O)O)[N+](=O)[O-]

InChI

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