[(1R)-1-phenylethyl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [(1R)-1-phenylethyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [(1R)-1-phenylethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [(1R)-1-phenylethyl] ester IUPAC Name: [(1R)-1-phenylethyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [(1R)-1-phenylethyl] ester Formula: C15H12ClNO4 MolecularWeight: 305.71308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C[C@H](C1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H12ClNO4/c1-10(11-5-3-2-4-6-11)21-15(18)13-9-12(17(19)20)7-8-14(13)16/h2-10H,1H3/t10-/m1/s1