4-chloranyl-3-[2-(2,2-dimethylpropanoylamino)ethanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[2-(2,2-dimethylpropanoylamino)ethanoylamino]benzoic acid Openeye Name: 4-chloro-3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]benzoic acid CAS Name: 4-chloro-3-[[2-[(2,2-dimethyl-1-oxopropyl)amino]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-(pivaloylamino)acetyl]amino]benzoic acid Formula: C14H17ClN2O4 MolecularWeight: 312.74878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN2O4/c1-14(2,3)13(21)16-7-11(18)17-10-6-8(12(19)20)4-5-9(10)15/h4-6H,7H2,1-3H3,(H,16,21)(H,17,18)(H,19,20)