2-(2-methoxy-4-nitro-phenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Systemtic Name: 2-(2-methoxy-4-nitro-phenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 2-(2-methoxy-4-nitro-phenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 2-(2-methoxy-4-nitrophenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 2-(2-methoxy-4-nitrophenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 2-(2-methoxy-4-nitro-phenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])N2C(=O)C3CCC(CC3C2=O)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])N2C(=O)C3CCC(CC3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C21H20N2O5/c1-28-19-12-15(23(26)27)8-10-18(19)22-20(24)16-9-7-14(11-17(16)21(22)25)13-5-3-2-4-6-13/h2-6,8,10,12,14,16-17H,7,9,11H2,1H3