[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(dimethylamino)-5-nitro-benzoate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(dimethylamino)-5-nitro-benzoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C18H18FN3O5 MolecularWeight: 375.351023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C18H18FN3O5/c1-21(2)16-8-7-14(22(25)26)9-15(16)18(24)27-11-17(23)20-10-12-3-5-13(19)6-4-12/h3-9H,10-11H2,1-2H3,(H,20,23)