3-chloranyl-7-nitro-N-(2-phenyl-1,3-benzoxazol-5-yl)-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-7-nitro-N-(2-phenyl-1,3-benzoxazol-5-yl)-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-7-nitro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzothiophene-2-carboxamide CAS Name: 3-chloro-7-nitro-N-(2-phenyl-1,3-benzoxazol-5-yl)-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-7-nitro-N-(2-phenyl-1,3-benzoxazol-5-yl)-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-7-nitro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzothiophene-2-carboxamide Formula: C22H12ClN3O4S MolecularWeight: 449.86638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=C(C5=C(S4)C(=CC=C5)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=C(C5=C(S4)C(=CC=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H12ClN3O4S/c23-18-14-7-4-8-16(26(28)29)19(14)31-20(18)21(27)24-13-9-10-17-15(11-13)25-22(30-17)12-5-2-1-3-6-12/h1-11H,(H,24,27)