[3-bromanyl-1-(phenyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-yl] 4-nitrobenzoate

Systemtic Name: [3-bromanyl-1-(phenyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-yl] 4-nitrobenzoate Openeye Name: [3-bromo-1-(phenyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3-bromo-1-(phenyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-yl] ester IUPAC Name: [3-bromo-1-(phenyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3-bromo-1-(phenyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-yl] ester Formula: C26H19BrN2O5 MolecularWeight: 519.34346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(C(=C(C=C3O2)Br)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C=NC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C3=C(C(=C(C=C3O2)Br)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C=NC5=CC=CC=C5

InChI

InChI=1S/C26H19BrN2O5/c27-21-14-23-24(19-8-4-5-9-22(19)33-23)20(15-28-17-6-2-1-3-7-17)25(21)34-26(30)16-10-12-18(13-11-16)29(31)32/h1-3,6-7,10-15H,4-5,8-9H2