6,8-dimethyl-9-nitro-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine

Systemtic Name: 6,8-dimethyl-9-nitro-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine Openeye Name: 6,8-dimethyl-9-nitro-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine CAS Name: 6,8-dimethyl-9-nitro-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine IUPAC Name: 6,8-dimethyl-9-nitro-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine Traditional Name: 6,8-dimethyl-9-nitro-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine Formula: C12H16N2O2S MolecularWeight: 252.33264

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2NCCCS1)[N+](=O)[O-])C

Isomeric SMILES

CC1C2=CC(=C(C=C2NCCCS1)[N+](=O)[O-])C

InChI

InChI=1S/C12H16N2O2S/c1-8-6-10-9(2)17-5-3-4-13-11(10)7-12(8)14(15)16/h6-7,9,13H,3-5H2,1-2H3