2-[(2S)-butan-2-yl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: 2-[(2S)-butan-2-yl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 2-[(1S)-1-methylpropyl]-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-[(2S)-butan-2-yl]-1,3-dioxo-5-isoindolecarboxylate IUPAC Name: 2-[(2S)-butan-2-yl]-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-[(1S)-1-methylpropyl]isoindoline-5-carboxylate Formula: C13H12NO4- MolecularWeight: 246.23868

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C13H13NO4/c1-3-7(2)14-11(15)9-5-4-8(13(17)18)6-10(9)12(14)16/h4-7H,3H2,1-2H3,(H,17,18)/p-1/t7-/m0/s1