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

Systemtic Name: N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-nitro-benzothiophene-2-carboxamide Formula: C22H13N3O4S MolecularWeight: 415.42132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C3=CC(=CC=C3)NC(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)C3=CC(=CC=C3)NC(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H13N3O4S/c26-21(20-12-14-11-16(25(27)28)8-9-19(14)30-20)23-15-5-3-4-13(10-15)22-24-17-6-1-2-7-18(17)29-22/h1-12H,(H,23,26)