2-(4-chloranyl-3-nitro-phenyl)-3-(phenylmethylidene)isoindol-1-one

Systemtic Name: 2-(4-chloranyl-3-nitro-phenyl)-3-(phenylmethylidene)isoindol-1-one Openeye Name: 3-benzylidene-2-(4-chloro-3-nitro-phenyl)isoindolin-1-one CAS Name: 2-(4-chloro-3-nitrophenyl)-3-(phenylmethylene)-1-isoindolone IUPAC Name: 3-benzylidene-2-(4-chloro-3-nitrophenyl)isoindol-1-one Traditional Name: 3-benzal-2-(4-chloro-3-nitro-phenyl)isoindolin-1-one Formula: C21H13ClN2O3 MolecularWeight: 376.79252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=C2C3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C=C2C3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H13ClN2O3/c22-18-11-10-15(13-20(18)24(26)27)23-19(12-14-6-2-1-3-7-14)16-8-4-5-9-17(16)21(23)25/h1-13H