N-butyl-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-butyl-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-butyl-5-nitro-benzothiophene-2-carboxamide CAS Name: N-butyl-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-butyl-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-butyl-5-nitro-benzothiophene-2-carboxamide Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O3S/c1-2-3-6-14-13(16)12-8-9-7-10(15(17)18)4-5-11(9)19-12/h4-5,7-8H,2-3,6H2,1H3,(H,14,16)