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

Systemtic Name: [2-nitro-5-(trifluoromethyloxy)phenyl] 4-(2-methylpropanoylamino)benzoate Openeye Name: [2-nitro-5-(trifluoromethoxy)phenyl] 4-(2-methylpropanoylamino)benzoate CAS Name: 4-[(2-methyl-1-oxopropyl)amino]benzoic acid [2-nitro-5-(trifluoromethoxy)phenyl] ester IUPAC Name: [2-nitro-5-(trifluoromethoxy)phenyl] 4-(2-methylpropanoylamino)benzoate Traditional Name: 4-(isobutyrylamino)benzoic acid [2-nitro-5-(trifluoromethoxy)phenyl] ester Formula: C18H15F3N2O6 MolecularWeight: 412.31671

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15F3N2O6/c1-10(2)16(24)22-12-5-3-11(4-6-12)17(25)28-15-9-13(29-18(19,20)21)7-8-14(15)23(26)27/h3-10H,1-2H3,(H,22,24)