4-chloranyl-3-(propan-2-ylcarbamoylamino)benzoic acid

Systemtic Name: 4-chloranyl-3-(propan-2-ylcarbamoylamino)benzoic acid Openeye Name: 4-chloro-3-(isopropylcarbamoylamino)benzoic acid CAS Name: 4-chloro-3-[[oxo-(propan-2-ylamino)methyl]amino]benzoic acid IUPAC Name: 4-chloro-3-(propan-2-ylcarbamoylamino)benzoic acid Traditional Name: 4-chloro-3-(isopropylcarbamoylamino)benzoic acid Formula: C11H13ClN2O3 MolecularWeight: 256.68552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13ClN2O3/c1-6(2)13-11(17)14-9-5-7(10(15)16)3-4-8(9)12/h3-6H,1-2H3,(H,15,16)(H2,13,14,17)