2-bromanyl-5-[4-[[(2-methyl-3-nitro-phenyl)-(phenylmethyl)amino]methyl]phenoxy]phenol

Systemtic Name: 2-bromanyl-5-[4-[[(2-methyl-3-nitro-phenyl)-(phenylmethyl)amino]methyl]phenoxy]phenol Openeye Name: 5-[4-[(N-benzyl-2-methyl-3-nitro-anilino)methyl]phenoxy]-2-bromo-phenol CAS Name: 2-bromo-5-[4-[(2-methyl-3-nitro-N-(phenylmethyl)anilino)methyl]phenoxy]phenol IUPAC Name: 5-[4-[(N-benzyl-2-methyl-3-nitroanilino)methyl]phenoxy]-2-bromophenol Traditional Name: 5-[4-[(N-benzyl-2-methyl-3-nitro-anilino)methyl]phenoxy]-2-bromo-phenol Formula: C27H23BrN2O4 MolecularWeight: 519.38652

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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)O

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)O

InChI

InChI=1S/C27H23BrN2O4/c1-19-25(8-5-9-26(19)30(32)33)29(17-20-6-3-2-4-7-20)18-21-10-12-22(13-11-21)34-23-14-15-24(28)27(31)16-23/h2-16,31H,17-18H2,1H3