[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C20H19FN2O6 MolecularWeight: 402.373063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCC(=O)OCCCC(=O)C2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCC(=O)OCCCC(=O)C2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C20H19FN2O6/c21-16-7-3-14(4-8-16)18(24)2-1-13-29-19(25)11-12-22-20(26)15-5-9-17(10-6-15)23(27)28/h3-10H,1-2,11-13H2,(H,22,26)