[1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl] 2-nitrobenzoate

Systemtic Name: [1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl] 2-nitrobenzoate Openeye Name: 1-[(4-fluorophenyl)carbamoyl]propyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [1-(4-fluoroanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-fluoroanilino)-1-oxobutan-2-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid 1-[(4-fluorophenyl)carbamoyl]propyl ester Formula: C17H15FN2O5 MolecularWeight: 346.309803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15FN2O5/c1-2-15(16(21)19-12-9-7-11(18)8-10-12)25-17(22)13-5-3-4-6-14(13)20(23)24/h3-10,15H,2H2,1H3,(H,19,21)