5-[3,5-dimethoxy-4-[[(4-nitrophenyl)amino]methyl]phenoxy]pentanoic acid

Systemtic Name: 5-[3,5-dimethoxy-4-[[(4-nitrophenyl)amino]methyl]phenoxy]pentanoic acid Openeye Name: 5-[3,5-dimethoxy-4-[(4-nitroanilino)methyl]phenoxy]pentanoic acid CAS Name: 5-[3,5-dimethoxy-4-[(4-nitroanilino)methyl]phenoxy]pentanoic acid IUPAC Name: 5-[3,5-dimethoxy-4-[(4-nitroanilino)methyl]phenoxy]pentanoic acid Traditional Name: 5-[3,5-dimethoxy-4-[(4-nitroanilino)methyl]phenoxy]valeric acid Formula: C20H24N2O7 MolecularWeight: 404.41376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1CNC2=CC=C(C=C2)[N+](=O)[O-])OC)OCCCCC(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1CNC2=CC=C(C=C2)[N+](=O)[O-])OC)OCCCCC(=O)O

InChI

InChI=1S/C20H24N2O7/c1-27-18-11-16(29-10-4-3-5-20(23)24)12-19(28-2)17(18)13-21-14-6-8-15(9-7-14)22(25)26/h6-9,11-12,21H,3-5,10,13H2,1-2H3,(H,23,24)