5-[2-(2,4-dinitrophenoxy)ethanoylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[2-(2,4-dinitrophenoxy)ethanoylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[2-(2,4-dinitrophenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[2-(2,4-dinitrophenoxy)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[2-(2,4-dinitrophenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[2-(2,4-dinitrophenoxy)acetyl]amino]isophthalic acid Formula: C16H11N3O10 MolecularWeight: 405.27264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N3O10/c20-14(17-10-4-8(15(21)22)3-9(5-10)16(23)24)7-29-13-2-1-11(18(25)26)6-12(13)19(27)28/h1-6H,7H2,(H,17,20)(H,21,22)(H,23,24)