N-[[4-(4-bromanylphenoxy)phenyl]methyl]-2-methyl-3-nitro-aniline

Systemtic Name: N-[[4-(4-bromanylphenoxy)phenyl]methyl]-2-methyl-3-nitro-aniline Openeye Name: N-[[4-(4-bromophenoxy)phenyl]methyl]-2-methyl-3-nitro-aniline CAS Name: N-[[4-(4-bromophenoxy)phenyl]methyl]-2-methyl-3-nitroaniline IUPAC Name: N-[[4-(4-bromophenoxy)phenyl]methyl]-2-methyl-3-nitroaniline Traditional Name: [4-(4-bromophenoxy)benzyl]-(2-methyl-3-nitro-phenyl)amine Formula: C20H17BrN2O3 MolecularWeight: 413.26458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NCC2=CC=C(C=C2)OC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NCC2=CC=C(C=C2)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H17BrN2O3/c1-14-19(3-2-4-20(14)23(24)25)22-13-15-5-9-17(10-6-15)26-18-11-7-16(21)8-12-18/h2-12,22H,13H2,1H3