[1-[1-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-2-nitro-benzoate

Systemtic Name: [1-[1-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-2-nitro-benzoate Openeye Name: [2-[1-(4-fluorophenyl)ethylamino]-1-methyl-2-oxo-ethyl] 5-chloro-2-nitro-benzoate CAS Name: 5-chloro-2-nitrobenzoic acid [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 5-chloro-2-nitrobenzoate Traditional Name: 5-chloro-2-nitro-benzoic acid [2-[1-(4-fluorophenyl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C18H16ClFN2O5 MolecularWeight: 394.781443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClFN2O5/c1-10(12-3-6-14(20)7-4-12)21-17(23)11(2)27-18(24)15-9-13(19)5-8-16(15)22(25)26/h3-11H,1-2H3,(H,21,23)