2-[2-[(3,4-dichlorophenyl)amino]propanoylamino]butanedioic acid

Systemtic Name: 2-[2-[(3,4-dichlorophenyl)amino]propanoylamino]butanedioic acid Openeye Name: 2-[2-(3,4-dichloroanilino)propanoylamino]butanedioic acid CAS Name: 2-[[2-(3,4-dichloroanilino)-1-oxopropyl]amino]butanedioic acid IUPAC Name: 2-[2-(3,4-dichloroanilino)propanoylamino]butanedioic acid Traditional Name: 2-[2-(3,4-dichloroanilino)propanoylamino]succinic acid Formula: C13H14Cl2N2O5 MolecularWeight: 349.16666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC(=O)O)C(=O)O)NC1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

CC(C(=O)NC(CC(=O)O)C(=O)O)NC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C13H14Cl2N2O5/c1-6(16-7-2-3-8(14)9(15)4-7)12(20)17-10(13(21)22)5-11(18)19/h2-4,6,10,16H,5H2,1H3,(H,17,20)(H,18,19)(H,21,22)