methyl 3-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(2-chloro-6-fluoro-phenyl)methyl-methyl-carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(2-chloro-6-fluorophenyl)methyl-methylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[(2-chloro-6-fluoro-benzyl)-methyl-carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C17H14ClFN2O5 MolecularWeight: 380.754863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC=C1Cl)F)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN(CC1=C(C=CC=C1Cl)F)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H14ClFN2O5/c1-20(9-13-14(18)4-3-5-15(13)19)16(22)10-6-11(17(23)26-2)8-12(7-10)21(24)25/h3-8H,9H2,1-2H3