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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C3=CC(=CC=C3)NC(=O)C4=C(C5=C(S4)C(=CC=C5)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)C3=CC(=CC=C3)NC(=O)C4=C(C5=C(S4)C(=CC=C5)[N+](=O)[O-])Cl

InChI

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