[1-[(phenylmethyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-yl] 4-nitrobenzoate

Systemtic Name: [1-[(phenylmethyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-yl] 4-nitrobenzoate Openeye Name: [1-(benzyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [1-[(phenylmethyl)iminomethyl]-6,7,8,9-tetrahydrodibenzofuran-2-yl] ester IUPAC Name: [1-(benzyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [1-(benzyliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-yl] ester Formula: C27H22N2O5 MolecularWeight: 454.47398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(O2)C=CC(=C3C=NCC4=CC=CC=C4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C3=C(O2)C=CC(=C3C=NCC4=CC=CC=C4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H22N2O5/c30-27(19-10-12-20(13-11-19)29(31)32)34-24-14-15-25-26(21-8-4-5-9-23(21)33-25)22(24)17-28-16-18-6-2-1-3-7-18/h1-3,6-7,10-15,17H,4-5,8-9,16H2