3-chloranyl-N-[2-(3-chloranyl-4-methyl-phenyl)-1,3-benzoxazol-5-yl]-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-(3-chloranyl-4-methyl-phenyl)-1,3-benzoxazol-5-yl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-(3-chloro-4-methyl-phenyl)-1,3-benzoxazol-5-yl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-(3-chloro-4-methyl-phenyl)-1,3-benzoxazol-5-yl]-7-nitro-benzothiophene-2-carboxamide Formula: C23H13Cl2N3O4S MolecularWeight: 498.33802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=C(C5=C(S4)C(=CC=C5)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=C(C5=C(S4)C(=CC=C5)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C23H13Cl2N3O4S/c1-11-5-6-12(9-15(11)24)23-27-16-10-13(7-8-18(16)32-23)26-22(29)21-19(25)14-3-2-4-17(28(30)31)20(14)33-21/h2-10H,1H3,(H,26,29)