3-[(4-chloranyl-3-nitro-phenyl)methoxy]-3-phenyl-2-(phenylmethyl)isoindol-1-one

Systemtic Name: 3-[(4-chloranyl-3-nitro-phenyl)methoxy]-3-phenyl-2-(phenylmethyl)isoindol-1-one Openeye Name: 2-benzyl-3-[(4-chloro-3-nitro-phenyl)methoxy]-3-phenyl-isoindolin-1-one CAS Name: 3-[(4-chloro-3-nitrophenyl)methoxy]-3-phenyl-2-(phenylmethyl)-1-isoindolone IUPAC Name: 2-benzyl-3-[(4-chloro-3-nitrophenyl)methoxy]-3-phenylisoindol-1-one Traditional Name: 2-benzyl-3-(4-chloro-3-nitro-benzyl)oxy-3-phenyl-isoindolin-1-one Formula: C28H21ClN2O4 MolecularWeight: 484.93034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C2(C4=CC=CC=C4)OCC5=CC(=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C2(C4=CC=CC=C4)OCC5=CC(=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C28H21ClN2O4/c29-25-16-15-21(17-26(25)31(33)34)19-35-28(22-11-5-2-6-12-22)24-14-8-7-13-23(24)27(32)30(28)18-20-9-3-1-4-10-20/h1-17H,18-19H2