3,5-bis(2-chloroethylcarbamoylamino)benzoic acid

Systemtic Name: 3,5-bis(2-chloroethylcarbamoylamino)benzoic acid Openeye Name: 3,5-bis(2-chloroethylcarbamoylamino)benzoic acid CAS Name: 3,5-bis[[(2-chloroethylamino)-oxomethyl]amino]benzoic acid IUPAC Name: 3,5-bis(2-chloroethylcarbamoylamino)benzoic acid Traditional Name: 3,5-bis(2-chloroethylcarbamoylamino)benzoic acid Formula: C13H16Cl2N4O4 MolecularWeight: 363.19654

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1NC(=O)NCCCl)NC(=O)NCCCl)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1NC(=O)NCCCl)NC(=O)NCCCl)C(=O)O

InChI

InChI=1S/C13H16Cl2N4O4/c14-1-3-16-12(22)18-9-5-8(11(20)21)6-10(7-9)19-13(23)17-4-2-15/h5-7H,1-4H2,(H,20,21)(H2,16,18,22)(H2,17,19,23)