(2S,3S)-3-methyl-3-[4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl]oxirane-2-carboxylate

Systemtic Name: (2S,3S)-3-methyl-3-[4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl]oxirane-2-carboxylate Openeye Name: (2S,3S)-3-methyl-3-[4-(1-oxoisoindolin-2-yl)phenyl]oxirane-2-carboxylate CAS Name: (2S,3S)-3-methyl-3-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-2-oxiranecarboxylate IUPAC Name: (2S,3S)-3-methyl-3-[4-(3-oxo-1H-isoindol-2-yl)phenyl]oxirane-2-carboxylate Traditional Name: (2S,3S)-3-[4-(1-ketoisoindolin-2-yl)phenyl]-3-methyl-oxirane-2-carboxylate Formula: C18H14NO4- MolecularWeight: 308.30806

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(O1)C(=O)[O-])C2=CC=C(C=C2)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

C[C@@]1([C@H](O1)C(=O)[O-])C2=CC=C(C=C2)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C18H15NO4/c1-18(15(23-18)17(21)22)12-6-8-13(9-7-12)19-10-11-4-2-3-5-14(11)16(19)20/h2-9,15H,10H2,1H3,(H,21,22)/p-1/t15-,18+/m1/s1