(3-cyanophenyl)methyl 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: (3-cyanophenyl)methyl 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: (3-cyanophenyl)methyl 2-(4-chloro-3-nitro-benzoyl)benzoate CAS Name: 2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-(4-chloro-3-nitrobenzoyl)benzoate Traditional Name: 2-(4-chloro-3-nitro-benzoyl)benzoic acid (3-cyanobenzyl) ester Formula: C22H13ClN2O5 MolecularWeight: 420.80202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H13ClN2O5/c23-19-9-8-16(11-20(19)25(28)29)21(26)17-6-1-2-7-18(17)22(27)30-13-15-5-3-4-14(10-15)12-24/h1-11H,13H2