[4-(2-chloranyl-4-nitro-phenyl)carbonyl-2,5-dimethyl-pyrazol-3-yl] ethanoate

Systemtic Name: [4-(2-chloranyl-4-nitro-phenyl)carbonyl-2,5-dimethyl-pyrazol-3-yl] ethanoate Openeye Name: [4-(2-chloro-4-nitro-benzoyl)-2,5-dimethyl-pyrazol-3-yl] acetate CAS Name: acetic acid [4-[(2-chloro-4-nitrophenyl)-oxomethyl]-2,5-dimethyl-3-pyrazolyl] ester IUPAC Name: [4-(2-chloro-4-nitrobenzoyl)-2,5-dimethylpyrazol-3-yl] acetate Traditional Name: acetic acid [4-(2-chloro-4-nitro-benzoyl)-2,5-dimethyl-pyrazol-3-yl] ester Formula: C14H12ClN3O5 MolecularWeight: 337.71518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC(=O)C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC(=O)C)C

InChI

InChI=1S/C14H12ClN3O5/c1-7-12(14(17(3)16-7)23-8(2)19)13(20)10-5-4-9(18(21)22)6-11(10)15/h4-6H,1-3H3