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

Systemtic Name: N-[2-[4-[(4-bromophenyl)methylamino]phenyl]ethyl]-2-nitro-aniline Openeye Name: N-[2-[4-[(4-bromophenyl)methylamino]phenyl]ethyl]-2-nitro-aniline CAS Name: N-[2-[4-[(4-bromophenyl)methylamino]phenyl]ethyl]-2-nitroaniline IUPAC Name: N-[2-[4-[(4-bromophenyl)methylamino]phenyl]ethyl]-2-nitroaniline Traditional Name: (4-bromobenzyl)-[4-[2-(2-nitroanilino)ethyl]phenyl]amine Formula: C21H20BrN3O2 MolecularWeight: 426.3064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NCCC2=CC=C(C=C2)NCC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NCCC2=CC=C(C=C2)NCC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H20BrN3O2/c22-18-9-5-17(6-10-18)15-24-19-11-7-16(8-12-19)13-14-23-20-3-1-2-4-21(20)25(26)27/h1-12,23-24H,13-15H2