N-[2-[4-[(4-bromophenyl)methylamino]phenyl]ethyl]-3-nitro-aniline

Systemtic Name: N-[2-[4-[(4-bromophenyl)methylamino]phenyl]ethyl]-3-nitro-aniline Openeye Name: N-[2-[4-[(4-bromophenyl)methylamino]phenyl]ethyl]-3-nitro-aniline CAS Name: N-[2-[4-[(4-bromophenyl)methylamino]phenyl]ethyl]-3-nitroaniline IUPAC Name: N-[2-[4-[(4-bromophenyl)methylamino]phenyl]ethyl]-3-nitroaniline Traditional Name: (4-bromobenzyl)-[4-[2-(3-nitroanilino)ethyl]phenyl]amine Formula: C21H20BrN3O2 MolecularWeight: 426.3064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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