3-bromanyl-N-[2-[4-[(3-nitrophenyl)methylamino]phenyl]ethyl]aniline

Systemtic Name: 3-bromanyl-N-[2-[4-[(3-nitrophenyl)methylamino]phenyl]ethyl]aniline Openeye Name: 3-bromo-N-[2-[4-[(3-nitrophenyl)methylamino]phenyl]ethyl]aniline CAS Name: 3-bromo-N-[2-[4-[(3-nitrophenyl)methylamino]phenyl]ethyl]aniline IUPAC Name: 3-bromo-N-[2-[4-[(3-nitrophenyl)methylamino]phenyl]ethyl]aniline Traditional Name: [4-[2-(3-bromoanilino)ethyl]phenyl]-(3-nitrobenzyl)amine Formula: C21H20BrN3O2 MolecularWeight: 426.3064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=CC=C(C=C2)CCNC3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=CC=C(C=C2)CCNC3=CC(=CC=C3)Br

InChI

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