N-[2-[4-[(2-bromophenyl)methylamino]phenyl]ethyl]-4-methoxy-2-nitro-aniline

Systemtic Name: N-[2-[4-[(2-bromophenyl)methylamino]phenyl]ethyl]-4-methoxy-2-nitro-aniline Openeye Name: N-[2-[4-[(2-bromophenyl)methylamino]phenyl]ethyl]-4-methoxy-2-nitro-aniline CAS Name: N-[2-[4-[(2-bromophenyl)methylamino]phenyl]ethyl]-4-methoxy-2-nitroaniline IUPAC Name: N-[2-[4-[(2-bromophenyl)methylamino]phenyl]ethyl]-4-methoxy-2-nitroaniline Traditional Name: (2-bromobenzyl)-[4-[2-(4-methoxy-2-nitro-anilino)ethyl]phenyl]amine Formula: C22H22BrN3O3 MolecularWeight: 456.33238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NCCC2=CC=C(C=C2)NCC3=CC=CC=C3Br)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NCCC2=CC=C(C=C2)NCC3=CC=CC=C3Br)[N+](=O)[O-]

InChI

InChI=1S/C22H22BrN3O3/c1-29-19-10-11-21(22(14-19)26(27)28)24-13-12-16-6-8-18(9-7-16)25-15-17-4-2-3-5-20(17)23/h2-11,14,24-25H,12-13,15H2,1H3