2-butyl-7-methoxy-5-nitro-4H-1,4-benzothiazin-3-one

Systemtic Name: 2-butyl-7-methoxy-5-nitro-4H-1,4-benzothiazin-3-one Openeye Name: 2-butyl-7-methoxy-5-nitro-4H-1,4-benzothiazin-3-one CAS Name: 2-butyl-7-methoxy-5-nitro-4H-1,4-benzothiazin-3-one IUPAC Name: 2-butyl-7-methoxy-5-nitro-4H-1,4-benzothiazin-3-one Traditional Name: 2-butyl-7-methoxy-5-nitro-4H-1,4-benzothiazin-3-one Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)NC2=C(S1)C=C(C=C2[N+](=O)[O-])OC

Isomeric SMILES

CCCCC1C(=O)NC2=C(S1)C=C(C=C2[N+](=O)[O-])OC

InChI

InChI=1S/C13H16N2O4S/c1-3-4-5-10-13(16)14-12-9(15(17)18)6-8(19-2)7-11(12)20-10/h6-7,10H,3-5H2,1-2H3,(H,14,16)