1-[[5-bromanyl-2-[(3-nitrophenyl)methoxy]phenyl]methyl]-5-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 1-[[5-bromanyl-2-[(3-nitrophenyl)methoxy]phenyl]methyl]-5-methyl-pyrazole-3-carboxylic acid Openeye Name: 1-[[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]methyl]-5-methyl-pyrazole-3-carboxylic acid CAS Name: 1-[[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]methyl]-5-methyl-3-pyrazolecarboxylic acid IUPAC Name: 1-[[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]methyl]-5-methylpyrazole-3-carboxylic acid Traditional Name: 1-[5-bromo-2-(3-nitrobenzyl)oxy-benzyl]-5-methyl-pyrazole-3-carboxylic acid Formula: C19H16BrN3O5 MolecularWeight: 446.25144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=C(C=CC(=C2)Br)OCC3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC(=NN1CC2=C(C=CC(=C2)Br)OCC3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H16BrN3O5/c1-12-7-17(19(24)25)21-22(12)10-14-9-15(20)5-6-18(14)28-11-13-3-2-4-16(8-13)23(26)27/h2-9H,10-11H2,1H3,(H,24,25)