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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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