5-(4-chloranylbutanoylamino)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-(4-chloranylbutanoylamino)benzene-1,3-dicarboxylic acid Openeye Name: 5-(4-chlorobutanoylamino)benzene-1,3-dicarboxylic acid CAS Name: 5-[(4-chloro-1-oxobutyl)amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-(4-chlorobutanoylamino)benzene-1,3-dicarboxylic acid Traditional Name: 5-(4-chlorobutanoylamino)isophthalic acid Formula: C12H12ClNO5 MolecularWeight: 285.68038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClNO5/c13-3-1-2-10(15)14-9-5-7(11(16)17)4-8(6-9)12(18)19/h4-6H,1-3H2,(H,14,15)(H,16,17)(H,18,19)