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

Systemtic Name: 3-[4-[4-[[(2-methyl-3-nitro-phenyl)amino]methyl]phenoxy]phenyl]propanoic acid Openeye Name: 3-[4-[4-[(2-methyl-3-nitro-anilino)methyl]phenoxy]phenyl]propanoic acid CAS Name: 3-[4-[4-[(2-methyl-3-nitroanilino)methyl]phenoxy]phenyl]propanoic acid IUPAC Name: 3-[4-[4-[(2-methyl-3-nitroanilino)methyl]phenoxy]phenyl]propanoic acid Traditional Name: 3-[4-[4-[(2-methyl-3-nitro-anilino)methyl]phenoxy]phenyl]propionic acid Formula: C23H22N2O5 MolecularWeight: 406.43118

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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)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O5/c1-16-21(3-2-4-22(16)25(28)29)24-15-18-7-12-20(13-8-18)30-19-10-5-17(6-11-19)9-14-23(26)27/h2-8,10-13,24H,9,14-15H2,1H3,(H,26,27)