2-(3,5-dimethylpyrazol-1-yl)carbonyl-3-nitro-benzoic acid

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)carbonyl-3-nitro-benzoic acid Openeye Name: 2-(3,5-dimethylpyrazole-1-carbonyl)-3-nitro-benzoic acid CAS Name: 2-[(3,5-dimethyl-1-pyrazolyl)-oxomethyl]-3-nitrobenzoic acid IUPAC Name: 2-(3,5-dimethylpyrazole-1-carbonyl)-3-nitrobenzoic acid Traditional Name: 2-(3,5-dimethylpyrazole-1-carbonyl)-3-nitro-benzoic acid Formula: C13H11N3O5 MolecularWeight: 289.24354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CC1=CC(=NN1C(=O)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C13H11N3O5/c1-7-6-8(2)15(14-7)12(17)11-9(13(18)19)4-3-5-10(11)16(20)21/h3-6H,1-2H3,(H,18,19)