[2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: [2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-(4-acetamido-2-fluoro-phenyl)-2-oxo-ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [2-(4-acetamido-2-fluoro-phenyl)-2-keto-ethyl] ester Formula: C19H18FN3O6 MolecularWeight: 403.361123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18FN3O6/c1-11(24)21-13-5-6-14(15(20)9-13)18(25)10-29-19(26)12-4-7-16(22(2)3)17(8-12)23(27)28/h4-9H,10H2,1-3H3,(H,21,24)