butyl N-(6-nitro-1,3-benzothiazol-2-yl)carbamate

Systemtic Name: butyl N-(6-nitro-1,3-benzothiazol-2-yl)carbamate Openeye Name: butyl N-(6-nitro-1,3-benzothiazol-2-yl)carbamate CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)carbamic acid butyl ester IUPAC Name: butyl N-(6-nitro-1,3-benzothiazol-2-yl)carbamate Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)carbamic acid butyl ester Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O4S/c1-2-3-6-19-12(16)14-11-13-9-5-4-8(15(17)18)7-10(9)20-11/h4-5,7H,2-3,6H2,1H3,(H,13,14,16)