[4-chloranyl-2-(phenylmethyl)phenyl] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [4-chloranyl-2-(phenylmethyl)phenyl] 2-chloranyl-4-nitro-benzoate Openeye Name: (2-benzyl-4-chloro-phenyl) 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [4-chloro-2-(phenylmethyl)phenyl] ester IUPAC Name: (2-benzyl-4-chlorophenyl) 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid (2-benzyl-4-chloro-phenyl) ester Formula: C20H13Cl2NO4 MolecularWeight: 402.22752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H13Cl2NO4/c21-15-6-9-19(14(11-15)10-13-4-2-1-3-5-13)27-20(24)17-8-7-16(23(25)26)12-18(17)22/h1-9,11-12H,10H2