ethyl 2-[4-(2-chloranyl-4-nitro-phenyl)-1H-pyrazol-5-yl]benzoate

Systemtic Name: ethyl 2-[4-(2-chloranyl-4-nitro-phenyl)-1H-pyrazol-5-yl]benzoate Openeye Name: ethyl 2-[4-(2-chloro-4-nitro-phenyl)-1H-pyrazol-5-yl]benzoate CAS Name: 2-[4-(2-chloro-4-nitrophenyl)-1H-pyrazol-5-yl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-chloro-4-nitrophenyl)-1H-pyrazol-5-yl]benzoate Traditional Name: 2-[4-(2-chloro-4-nitro-phenyl)-1H-pyrazol-5-yl]benzoic acid ethyl ester Formula: C18H14ClN3O4 MolecularWeight: 371.77446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1C2=C(C=NN2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1C2=C(C=NN2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H14ClN3O4/c1-2-26-18(23)14-6-4-3-5-13(14)17-15(10-20-21-17)12-8-7-11(22(24)25)9-16(12)19/h3-10H,2H2,1H3,(H,20,21)