[2-nitro-5-(trifluoromethyl)phenyl] 4-(2-methylpropanoylamino)benzoate

Systemtic Name: [2-nitro-5-(trifluoromethyl)phenyl] 4-(2-methylpropanoylamino)benzoate Openeye Name: [2-nitro-5-(trifluoromethyl)phenyl] 4-(2-methylpropanoylamino)benzoate CAS Name: 4-[(2-methyl-1-oxopropyl)amino]benzoic acid [2-nitro-5-(trifluoromethyl)phenyl] ester IUPAC Name: [2-nitro-5-(trifluoromethyl)phenyl] 4-(2-methylpropanoylamino)benzoate Traditional Name: 4-(isobutyrylamino)benzoic acid [2-nitro-5-(trifluoromethyl)phenyl] ester Formula: C18H15F3N2O5 MolecularWeight: 396.31731

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H15F3N2O5/c1-10(2)16(24)22-13-6-3-11(4-7-13)17(25)28-15-9-12(18(19,20)21)5-8-14(15)23(26)27/h3-10H,1-2H3,(H,22,24)