3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)benzoate

Systemtic Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)benzoate Openeye Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)benzoate CAS Name: 3-(3,5-dimethyl-4-nitro-1-pyrazolyl)benzoate IUPAC Name: 3-(3,5-dimethyl-4-nitropyrazol-1-yl)benzoate Traditional Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)benzoate Formula: C12H10N3O4- MolecularWeight: 260.2255

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O4/c1-7-11(15(18)19)8(2)14(13-7)10-5-3-4-9(6-10)12(16)17/h3-6H,1-2H3,(H,16,17)/p-1