4-[[2-(3-nitrophenoxy)ethanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-(3-nitrophenoxy)ethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-(3-nitrophenoxy)acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-(3-nitrophenoxy)-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-(3-nitrophenoxy)acetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-(3-nitrophenoxy)acetyl]amino]methyl]benzoic acid Formula: C16H14N2O6 MolecularWeight: 330.29216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O6/c19-15(10-24-14-3-1-2-13(8-14)18(22)23)17-9-11-4-6-12(7-5-11)16(20)21/h1-8H,9-10H2,(H,17,19)(H,20,21)