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

Systemtic Name: (2S,3S)-2-cyano-3-methyl-3-[4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl]oxirane-2-carboxylate Openeye Name: (2S,3S)-2-cyano-3-methyl-3-[4-(1-oxoisoindolin-2-yl)phenyl]oxirane-2-carboxylate CAS Name: (2S,3S)-2-cyano-3-methyl-3-[4-(3-oxo-1H-isoindol-2-yl)phenyl]-2-oxiranecarboxylate IUPAC Name: (2S,3S)-2-cyano-3-methyl-3-[4-(3-oxo-1H-isoindol-2-yl)phenyl]oxirane-2-carboxylate Traditional Name: (2S,3S)-2-cyano-3-[4-(1-ketoisoindolin-2-yl)phenyl]-3-methyl-oxirane-2-carboxylate Formula: C19H13N2O4- MolecularWeight: 333.31752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14N2O4/c1-18(19(11-20,25-18)17(23)24)13-6-8-14(9-7-13)21-10-12-4-2-3-5-15(12)16(21)22/h2-9H,10H2,1H3,(H,23,24)/p-1/t18-,19+/m0/s1