3-chloranyl-N-(4-methoxyphenyl)-7-nitro-5,6-bis(oxidanyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-(4-methoxyphenyl)-7-nitro-5,6-bis(oxidanyl)-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-5,6-dihydroxy-N-(4-methoxyphenyl)-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-5,6-dihydroxy-N-(4-methoxyphenyl)-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-5,6-dihydroxy-N-(4-methoxyphenyl)-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-5,6-dihydroxy-N-(4-methoxyphenyl)-7-nitro-benzothiophene-2-carboxamide Formula: C16H11ClN2O6S MolecularWeight: 394.78634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=C(C3=CC(=C(C(=C3S2)[N+](=O)[O-])O)O)Cl

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=C(C3=CC(=C(C(=C3S2)[N+](=O)[O-])O)O)Cl

InChI

InChI=1S/C16H11ClN2O6S/c1-25-8-4-2-7(3-5-8)18-16(22)15-11(17)9-6-10(20)13(21)12(19(23)24)14(9)26-15/h2-6,20-21H,1H3,(H,18,22)