methyl (2R,3R,3aR)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-oxidanylidene-2,3,3a,4-tetrahydropyrrolo[1,2-a]indole-2-carboxylate

Systemtic Name: methyl (2R,3R,3aR)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-oxidanylidene-2,3,3a,4-tetrahydropyrrolo[1,2-a]indole-2-carboxylate Openeye Name: methyl (2R,3R,3aR)-3-(1,3-dioxoisoindolin-2-yl)-1-oxo-2,3,3a,4-tetrahydropyrrolo[1,2-a]indole-2-carboxylate CAS Name: (2R,3R,3aR)-3-(1,3-dioxo-2-isoindolyl)-1-oxo-2,3,3a,4-tetrahydropyrrolo[1,2-a]indole-2-carboxylic acid methyl ester IUPAC Name: methyl (2R,3R,3aR)-3-(1,3-dioxoisoindol-2-yl)-1-oxo-2,3,3a,4-tetrahydropyrrolo[1,2-a]indole-2-carboxylate Traditional Name: (2R,3R,3aR)-1-keto-3-phthalimido-2,3,3a,4-tetrahydropyrrol[1,2-a]indole-2-carboxylic acid methyl ester Formula: C21H16N2O5 MolecularWeight: 376.36214

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C2CC3=CC=CC=C3N2C1=O)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

COC(=O)[C@@H]1[C@H]([C@H]2CC3=CC=CC=C3N2C1=O)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C21H16N2O5/c1-28-21(27)16-17(23-18(24)12-7-3-4-8-13(12)19(23)25)15-10-11-6-2-5-9-14(11)22(15)20(16)26/h2-9,15-17H,10H2,1H3/t15-,16-,17+/m1/s1