5-(2-chloranylethanoylamino)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(2-chloranylethanoylamino)benzene-1,3-dicarboxylic acid Openeye Name: 5-[(2-chloroacetyl)amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[(2-chloro-1-oxoethyl)amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(2-chloroacetyl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(2-chloroacetyl)amino]isophthalic acid Formula: C10H8ClNO5 MolecularWeight: 257.62722

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)O)NC(=O)CCl)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1C(=O)O)NC(=O)CCl)C(=O)O

InChI

InChI=1S/C10H8ClNO5/c11-4-8(13)12-7-2-5(9(14)15)1-6(3-7)10(16)17/h1-3H,4H2,(H,12,13)(H,14,15)(H,16,17)