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

Systemtic Name: (6aS)-3-methoxy-2-oxidanyl-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Openeye Name: (6aS)-2-hydroxy-3-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one CAS Name: (6aS)-2-hydroxy-3-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one IUPAC Name: (6aS)-2-hydroxy-3-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Traditional Name: (6aS)-2-hydroxy-3-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CC3CCCN3C2=O)O

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C[C@@H]3CCCN3C2=O)O

InChI

InChI=1S/C13H14N2O3/c1-18-12-6-10-9(5-11(12)16)13(17)15-4-2-3-8(15)7-14-10/h5-8,16H,2-4H2,1H3/t8-/m0/s1