2-[3-[4-[[(2-methyl-3-nitro-phenyl)amino]methyl]phenoxy]phenoxy]ethanoic acid

Systemtic Name: 2-[3-[4-[[(2-methyl-3-nitro-phenyl)amino]methyl]phenoxy]phenoxy]ethanoic acid Openeye Name: 2-[3-[4-[(2-methyl-3-nitro-anilino)methyl]phenoxy]phenoxy]acetic acid CAS Name: 2-[3-[4-[(2-methyl-3-nitroanilino)methyl]phenoxy]phenoxy]acetic acid IUPAC Name: 2-[3-[4-[(2-methyl-3-nitroanilino)methyl]phenoxy]phenoxy]acetic acid Traditional Name: 2-[3-[4-[(2-methyl-3-nitro-anilino)methyl]phenoxy]phenoxy]acetic acid Formula: C22H20N2O6 MolecularWeight: 408.404

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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(=CC=C3)OCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O6/c1-15-20(6-3-7-21(15)24(27)28)23-13-16-8-10-17(11-9-16)30-19-5-2-4-18(12-19)29-14-22(25)26/h2-12,23H,13-14H2,1H3,(H,25,26)