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

Systemtic Name: 2-chloranyl-5-(3,5-dimethyl-4-nitro-pyrazol-1-yl)benzoate Openeye Name: 2-chloro-5-(3,5-dimethyl-4-nitro-pyrazol-1-yl)benzoate CAS Name: 2-chloro-5-(3,5-dimethyl-4-nitro-1-pyrazolyl)benzoate IUPAC Name: 2-chloro-5-(3,5-dimethyl-4-nitropyrazol-1-yl)benzoate Traditional Name: 2-chloro-5-(3,5-dimethyl-4-nitro-pyrazol-1-yl)benzoate Formula: C12H9ClN3O4- MolecularWeight: 294.67056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10ClN3O4/c1-6-11(16(19)20)7(2)15(14-6)8-3-4-10(13)9(5-8)12(17)18/h3-5H,1-2H3,(H,17,18)/p-1