N-[[3-bromanyl-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-4-chloranyl-aniline

Systemtic Name: N-[[3-bromanyl-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-4-chloranyl-aniline Openeye Name: N-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-4-chloro-aniline CAS Name: N-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-4-chloroaniline IUPAC Name: N-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-4-chloroaniline Traditional Name: [3-bromo-5-methoxy-4-(4-nitrobenzyl)oxy-benzyl]-(4-chlorophenyl)amine Formula: C21H18BrClN2O4 MolecularWeight: 477.73562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)Cl)Br)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)Cl)Br)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18BrClN2O4/c1-28-20-11-15(12-24-17-6-4-16(23)5-7-17)10-19(22)21(20)29-13-14-2-8-18(9-3-14)25(26)27/h2-11,24H,12-13H2,1H3