methyl 3-[[4-acetamido-2-(trifluoromethyl)phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[4-acetamido-2-(trifluoromethyl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-acetamido-2-(trifluoromethyl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-acetamido-2-(trifluoromethyl)anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-acetamido-2-(trifluoromethyl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-acetamido-2-(trifluoromethyl)phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C18H14F3N3O6 MolecularWeight: 425.31547

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14F3N3O6/c1-9(25)22-12-3-4-15(14(8-12)18(19,20)21)23-16(26)10-5-11(17(27)30-2)7-13(6-10)24(28)29/h3-8H,1-2H3,(H,22,25)(H,23,26)