2-[2-[3-[4-[[(2-methyl-3-nitro-phenyl)-(phenylmethyl)amino]methyl]phenoxy]phenoxy]ethoxy]ethanoate

Systemtic Name: 2-[2-[3-[4-[[(2-methyl-3-nitro-phenyl)-(phenylmethyl)amino]methyl]phenoxy]phenoxy]ethoxy]ethanoate Openeye Name: 2-[2-[3-[4-[(N-benzyl-2-methyl-3-nitro-anilino)methyl]phenoxy]phenoxy]ethoxy]acetate CAS Name: 2-[2-[3-[4-[(2-methyl-3-nitro-N-(phenylmethyl)anilino)methyl]phenoxy]phenoxy]ethoxy]acetate IUPAC Name: 2-[2-[3-[4-[(N-benzyl-2-methyl-3-nitroanilino)methyl]phenoxy]phenoxy]ethoxy]acetate Traditional Name: 2-[2-[3-[4-[(N-benzyl-2-methyl-3-nitro-anilino)methyl]phenoxy]phenoxy]ethoxy]acetate Formula: C31H29N2O7- MolecularWeight: 541.57116

Click to see the large picture

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(=CC=C4)OCCOCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C31H30N2O7/c1-23-29(11-6-12-30(23)33(36)37)32(20-24-7-3-2-4-8-24)21-25-13-15-26(16-14-25)40-28-10-5-9-27(19-28)39-18-17-38-22-31(34)35/h2-16,19H,17-18,20-22H2,1H3,(H,34,35)/p-1