[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 1-(4-fluorophenyl)cyclopentanecarboxylate CAS Name: 1-(4-fluorophenyl)-1-cyclopentanecarboxylic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(4-fluorophenyl)cyclopentanecarboxylic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C21H21FN2O5 MolecularWeight: 400.400243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2(CCCC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2(CCCC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN2O5/c1-14(19(25)23-17-5-4-6-18(13-17)24(27)28)29-20(26)21(11-2-3-12-21)15-7-9-16(22)10-8-15/h4-10,13-14H,2-3,11-12H2,1H3,(H,23,25)