2-[[1,3-bis(oxidanylidene)-2-propyl-isoindol-5-yl]carbonylamino]-5-chloranyl-benzoic acid

Systemtic Name: 2-[[1,3-bis(oxidanylidene)-2-propyl-isoindol-5-yl]carbonylamino]-5-chloranyl-benzoic acid Openeye Name: 5-chloro-2-[(1,3-dioxo-2-propyl-isoindoline-5-carbonyl)amino]benzoic acid CAS Name: 5-chloro-2-[[(1,3-dioxo-2-propyl-5-isoindolyl)-oxomethyl]amino]benzoic acid IUPAC Name: 5-chloro-2-[(1,3-dioxo-2-propylisoindole-5-carbonyl)amino]benzoic acid Traditional Name: 5-chloro-2-[(1,3-diketo-2-propyl-isoindoline-5-carbonyl)amino]benzoic acid Formula: C19H15ClN2O5 MolecularWeight: 386.7858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C19H15ClN2O5/c1-2-7-22-17(24)12-5-3-10(8-13(12)18(22)25)16(23)21-15-6-4-11(20)9-14(15)19(26)27/h3-6,8-9H,2,7H2,1H3,(H,21,23)(H,26,27)