ethyl 3-[ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[ethyl-[(3-fluoro-4-methoxy-phenyl)methyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[ethyl-(3-fluoro-4-methoxy-benzyl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H21FN2O6 MolecularWeight: 404.388943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)F)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)F)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C20H21FN2O6/c1-4-22(12-13-6-7-18(28-3)17(21)8-13)19(24)14-9-15(20(25)29-5-2)11-16(10-14)23(26)27/h6-11H,4-5,12H2,1-3H3