(9S)-2,9-dimethoxy-3-oxidanyl-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one

Systemtic Name: (9S)-2,9-dimethoxy-3-oxidanyl-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Openeye Name: (9S)-3-hydroxy-2,9-dimethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one CAS Name: (9S)-3-hydroxy-2,9-dimethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one IUPAC Name: (9S)-3-hydroxy-2,9-dimethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Traditional Name: (9S)-3-hydroxy-2,9-dimethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC2N1C(=O)C3=CC(=C(C=C3N=C2)O)OC

Isomeric SMILES

CO[C@H]1CCC2N1C(=O)C3=CC(=C(C=C3N=C2)O)OC

InChI

InChI=1S/C14H16N2O4/c1-19-12-5-9-10(6-11(12)17)15-7-8-3-4-13(20-2)16(8)14(9)18/h5-8,13,17H,3-4H2,1-2H3/t8?,13-/m0/s1