4-[[3-(4-nitrophenoxy)-2-oxidanyl-propyl]amino]benzoic acid

Systemtic Name: 4-[[3-(4-nitrophenoxy)-2-oxidanyl-propyl]amino]benzoic acid Openeye Name: 4-[[2-hydroxy-3-(4-nitrophenoxy)propyl]amino]benzoic acid CAS Name: 4-[[2-hydroxy-3-(4-nitrophenoxy)propyl]amino]benzoic acid IUPAC Name: 4-[[2-hydroxy-3-(4-nitrophenoxy)propyl]amino]benzoic acid Traditional Name: 4-[[2-hydroxy-3-(4-nitrophenoxy)propyl]amino]benzoic acid Formula: C16H16N2O6 MolecularWeight: 332.30804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCC(COC2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCC(COC2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H16N2O6/c19-14(9-17-12-3-1-11(2-4-12)16(20)21)10-24-15-7-5-13(6-8-15)18(22)23/h1-8,14,17,19H,9-10H2,(H,20,21)