[2-[(3-azanyl-3-oxidanylidene-propyl)-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[(3-azanyl-3-oxidanylidene-propyl)-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-(N-(3-amino-3-oxo-propyl)-4-fluoro-anilino)-2-oxo-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid [2-(N-(3-amino-3-keto-propyl)-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C22H23FN4O6 MolecularWeight: 458.439623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)N(CCC(=O)N)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)N(CCC(=O)N)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H23FN4O6/c23-15-3-5-16(6-4-15)26(12-9-20(24)28)21(29)14-33-22(30)18-13-17(27(31)32)7-8-19(18)25-10-1-2-11-25/h3-8,13H,1-2,9-12,14H2,(H2,24,28)