(5S)-1,4-dimethyl-7-nitro-5-oxidanyl-2,5-dihydro-1,4-benzodiazepin-3-one

Systemtic Name: (5S)-1,4-dimethyl-7-nitro-5-oxidanyl-2,5-dihydro-1,4-benzodiazepin-3-one Openeye Name: (5S)-5-hydroxy-1,4-dimethyl-7-nitro-2,5-dihydro-1,4-benzodiazepin-3-one CAS Name: (5S)-5-hydroxy-1,4-dimethyl-7-nitro-2,5-dihydro-1,4-benzodiazepin-3-one IUPAC Name: (5S)-5-hydroxy-1,4-dimethyl-7-nitro-2,5-dihydro-1,4-benzodiazepin-3-one Traditional Name: (5S)-5-hydroxy-1,4-dimethyl-7-nitro-2,5-dihydro-1,4-benzodiazepin-3-one Formula: C11H13N3O4 MolecularWeight: 251.23862

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(=O)N(C(C2=C1C=CC(=C2)[N+](=O)[O-])O)C

Isomeric SMILES

CN1CC(=O)N([C@H](C2=C1C=CC(=C2)[N+](=O)[O-])O)C

InChI

InChI=1S/C11H13N3O4/c1-12-6-10(15)13(2)11(16)8-5-7(14(17)18)3-4-9(8)12/h3-5,11,16H,6H2,1-2H3/t11-/m0/s1