3-(4-chlorophenyl)-2-[(4-nitrophenyl)methyl]-3-oxidanyl-4,5,6,7-tetrahydroisoindol-1-one

Systemtic Name: 3-(4-chlorophenyl)-2-[(4-nitrophenyl)methyl]-3-oxidanyl-4,5,6,7-tetrahydroisoindol-1-one Openeye Name: 3-(4-chlorophenyl)-3-hydroxy-2-[(4-nitrophenyl)methyl]-4,5,6,7-tetrahydroisoindol-1-one CAS Name: 3-(4-chlorophenyl)-3-hydroxy-2-[(4-nitrophenyl)methyl]-4,5,6,7-tetrahydroisoindol-1-one IUPAC Name: 3-(4-chlorophenyl)-3-hydroxy-2-[(4-nitrophenyl)methyl]-4,5,6,7-tetrahydroisoindol-1-one Traditional Name: 3-(4-chlorophenyl)-3-hydroxy-2-(4-nitrobenzyl)-4,5,6,7-tetrahydroisoindol-1-one Formula: C21H19ClN2O4 MolecularWeight: 398.83956

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=O)N(C2(C3=CC=C(C=C3)Cl)O)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=O)N(C2(C3=CC=C(C=C3)Cl)O)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19ClN2O4/c22-16-9-7-15(8-10-16)21(26)19-4-2-1-3-18(19)20(25)23(21)13-14-5-11-17(12-6-14)24(27)28/h5-12,26H,1-4,13H2