N-butyl-3-chloranyl-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-butyl-3-chloranyl-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-butyl-3-chloro-7-nitro-benzothiophene-2-carboxamide CAS Name: N-butyl-3-chloro-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-butyl-3-chloro-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-butyl-3-chloro-7-nitro-benzothiophene-2-carboxamide Formula: C13H13ClN2O3S MolecularWeight: 312.77192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN2O3S/c1-2-3-7-15-13(17)12-10(14)8-5-4-6-9(16(18)19)11(8)20-12/h4-6H,2-3,7H2,1H3,(H,15,17)