5-(cyanoamino)-2-ethanoyl-benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(cyanoamino)-2-ethanoyl-benzene-1,3-dicarboxylic acid Openeye Name: 2-acetyl-5-(cyanoamino)benzene-1,3-dicarboxylic acid CAS Name: 2-acetyl-5-(cyanoamino)benzene-1,3-dicarboxylic acid IUPAC Name: 2-acetyl-5-(cyanoamino)benzene-1,3-dicarboxylic acid Traditional Name: 2-acetyl-5-(cyanoamino)isophthalic acid Formula: C11H8N2O5 MolecularWeight: 248.19162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1C(=O)O)NC#N)C(=O)O

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1C(=O)O)NC#N)C(=O)O

InChI

InChI=1S/C11H8N2O5/c1-5(14)9-7(10(15)16)2-6(13-4-12)3-8(9)11(17)18/h2-3,13H,1H3,(H,15,16)(H,17,18)