2-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-oxidanylidene-5-phenylazanyl-pentanoic acid hydrate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-oxidanylidene-5-phenylazanyl-pentanoic acid hydrate Openeye Name: 5-anilino-2-(1,3-dioxoisoindolin-2-yl)-5-oxo-pentanoic acid hydrate CAS Name: 5-anilino-2-(1,3-dioxo-2-isoindolyl)-5-oxopentanoic acid hydrate IUPAC Name: 5-anilino-2-(1,3-dioxoisoindol-2-yl)-5-oxopentanoic acid hydrate Traditional Name: 5-anilino-5-keto-2-phthalimido-valeric acid hydrate Formula: C19H18N2O6 MolecularWeight: 370.35602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CCC(C(=O)O)N2C(=O)C3=CC=CC=C3C2=O.O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CCC(C(=O)O)N2C(=O)C3=CC=CC=C3C2=O.O

InChI

InChI=1S/C19H16N2O5.H2O/c22-16(20-12-6-2-1-3-7-12)11-10-15(19(25)26)21-17(23)13-8-4-5-9-14(13)18(21)24;/h1-9,15H,10-11H2,(H,20,22)(H,25,26);1H2