3,6-bis(chloranyl)-N-(4-methoxy-3,5-dinitro-phenyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-(4-methoxy-3,5-dinitro-phenyl)-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-(4-methoxy-3,5-dinitro-phenyl)benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-(4-methoxy-3,5-dinitrophenyl)-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-(4-methoxy-3,5-dinitrophenyl)-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-(4-methoxy-3,5-dinitro-phenyl)benzothiophene-2-carboxamide Formula: C16H9Cl2N3O6S MolecularWeight: 442.23016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H9Cl2N3O6S/c1-27-14-10(20(23)24)5-8(6-11(14)21(25)26)19-16(22)15-13(18)9-3-2-7(17)4-12(9)28-15/h2-6H,1H3,(H,19,22)