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

Systemtic Name: [4-(2-chloranyl-4-nitro-phenyl)carbonyl-2,5-dimethyl-pyrazol-3-yl] benzoate Openeye Name: [4-(2-chloro-4-nitro-benzoyl)-2,5-dimethyl-pyrazol-3-yl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [4-(2-chloro-4-nitro-benzoyl)-2,5-dimethyl-pyrazol-3-yl] ester Formula: C19H14ClN3O5 MolecularWeight: 399.78456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C19H14ClN3O5/c1-11-16(17(24)14-9-8-13(23(26)27)10-15(14)20)18(22(2)21-11)28-19(25)12-6-4-3-5-7-12/h3-10H,1-2H3