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

Systemtic Name: 3-[[1,3-bis(oxidanylidene)-2-propyl-isoindol-5-yl]carbonylamino]benzoic acid Openeye Name: 3-[(1,3-dioxo-2-propyl-isoindoline-5-carbonyl)amino]benzoic acid CAS Name: 3-[[(1,3-dioxo-2-propyl-5-isoindolyl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(1,3-dioxo-2-propylisoindole-5-carbonyl)amino]benzoic acid Traditional Name: 3-[(1,3-diketo-2-propyl-isoindoline-5-carbonyl)amino]benzoic acid Formula: C19H16N2O5 MolecularWeight: 352.34074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O5/c1-2-8-21-17(23)14-7-6-11(10-15(14)18(21)24)16(22)20-13-5-3-4-12(9-13)19(25)26/h3-7,9-10H,2,8H2,1H3,(H,20,22)(H,25,26)