4-[2-(3-nitrophenoxy)ethanoylamino]phthalic acid

Systemtic Name: 4-[2-(3-nitrophenoxy)ethanoylamino]phthalic acid Openeye Name: 4-[[2-(3-nitrophenoxy)acetyl]amino]phthalic acid CAS Name: 4-[[2-(3-nitrophenoxy)-1-oxoethyl]amino]phthalic acid IUPAC Name: 4-[[2-(3-nitrophenoxy)acetyl]amino]phthalic acid Traditional Name: 4-[[2-(3-nitrophenoxy)acetyl]amino]phthalic acid Formula: C16H12N2O8 MolecularWeight: 360.27508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC(=O)NC2=CC(=C(C=C2)C(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)OCC(=O)NC2=CC(=C(C=C2)C(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O8/c19-14(8-26-11-3-1-2-10(7-11)18(24)25)17-9-4-5-12(15(20)21)13(6-9)16(22)23/h1-7H,8H2,(H,17,19)(H,20,21)(H,22,23)