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

Systemtic Name: 8-chloranyl-6-methyl-9-nitro-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine Openeye Name: 8-chloro-6-methyl-9-nitro-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine CAS Name: 8-chloro-6-methyl-9-nitro-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine IUPAC Name: 8-chloro-6-methyl-9-nitro-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine Traditional Name: 8-chloro-6-methyl-9-nitro-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine Formula: C11H13ClN2O2S MolecularWeight: 272.75112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13ClN2O2S/c1-7-8-5-9(12)11(14(15)16)6-10(8)13-3-2-4-17-7/h5-7,13H,2-4H2,1H3