(2,5-dimethylpyrazol-3-yl) 4-chloranyl-2-nitro-benzoate

Systemtic Name: (2,5-dimethylpyrazol-3-yl) 4-chloranyl-2-nitro-benzoate Openeye Name: (2,5-dimethylpyrazol-3-yl) 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid (2,5-dimethyl-3-pyrazolyl) ester IUPAC Name: (2,5-dimethylpyrazol-3-yl) 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid (2,5-dimethylpyrazol-3-yl) ester Formula: C12H10ClN3O4 MolecularWeight: 295.6785

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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