N-[[4-(4-bromanyl-3-prop-2-enoxy-phenoxy)phenyl]methyl]-2-methyl-3-nitro-N-(phenylmethyl)aniline

Systemtic Name: N-[[4-(4-bromanyl-3-prop-2-enoxy-phenoxy)phenyl]methyl]-2-methyl-3-nitro-N-(phenylmethyl)aniline Openeye Name: N-[[4-(3-allyloxy-4-bromo-phenoxy)phenyl]methyl]-N-benzyl-2-methyl-3-nitro-aniline CAS Name: N-[[4-(4-bromo-3-prop-2-enoxyphenoxy)phenyl]methyl]-2-methyl-3-nitro-N-(phenylmethyl)aniline IUPAC Name: N-benzyl-N-[[4-(4-bromo-3-prop-2-enoxyphenoxy)phenyl]methyl]-2-methyl-3-nitroaniline Traditional Name: [4-(3-allyloxy-4-bromo-phenoxy)benzyl]-benzyl-(2-methyl-3-nitro-phenyl)amine Formula: C30H27BrN2O4 MolecularWeight: 559.45038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])N(CC2=CC=CC=C2)CC3=CC=C(C=C3)OC4=CC(=C(C=C4)Br)OCC=C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])N(CC2=CC=CC=C2)CC3=CC=C(C=C3)OC4=CC(=C(C=C4)Br)OCC=C

InChI

InChI=1S/C30H27BrN2O4/c1-3-18-36-30-19-26(16-17-27(30)31)37-25-14-12-24(13-15-25)21-32(20-23-8-5-4-6-9-23)28-10-7-11-29(22(28)2)33(34)35/h3-17,19H,1,18,20-21H2,2H3