2-[7-(methylamino)-3-oxidanylidene-1H-isoindol-2-yl]butanedioic acid

Systemtic Name: 2-[7-(methylamino)-3-oxidanylidene-1H-isoindol-2-yl]butanedioic acid Openeye Name: 2-[4-(methylamino)-1-oxo-isoindolin-2-yl]butanedioic acid CAS Name: 2-[7-(methylamino)-3-oxo-1H-isoindol-2-yl]butanedioic acid IUPAC Name: 2-[7-(methylamino)-3-oxo-1H-isoindol-2-yl]butanedioic acid Traditional Name: 2-[1-keto-4-(methylamino)isoindolin-2-yl]succinic acid Formula: C13H14N2O5 MolecularWeight: 278.26066

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=CC2=C1CN(C2=O)C(CC(=O)O)C(=O)O

Isomeric SMILES

CNC1=CC=CC2=C1CN(C2=O)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C13H14N2O5/c1-14-9-4-2-3-7-8(9)6-15(12(7)18)10(13(19)20)5-11(16)17/h2-4,10,14H,5-6H2,1H3,(H,16,17)(H,19,20)