2-[3-(dimethylamino)propyl]-5-nitro-1,2-benzothiazol-3-one

Systemtic Name: 2-[3-(dimethylamino)propyl]-5-nitro-1,2-benzothiazol-3-one Openeye Name: 2-[3-(dimethylamino)propyl]-5-nitro-1,2-benzothiazol-3-one CAS Name: 2-[3-(dimethylamino)propyl]-5-nitro-1,2-benzothiazol-3-one IUPAC Name: 2-[3-(dimethylamino)propyl]-5-nitro-1,2-benzothiazol-3-one Traditional Name: 2-[3-(dimethylamino)propyl]-5-nitro-1,2-benzothiazol-3-one Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C(=O)C2=C(S1)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCCN1C(=O)C2=C(S1)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O3S/c1-13(2)6-3-7-14-12(16)10-8-9(15(17)18)4-5-11(10)19-14/h4-5,8H,3,6-7H2,1-2H3