3-chloranyl-N-[(E)-(2-nitrophenyl)methylideneamino]-5-phenoxy-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(E)-(2-nitrophenyl)methylideneamino]-5-phenoxy-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(E)-(2-nitrophenyl)methyleneamino]-5-phenoxy-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(E)-(2-nitrophenyl)methylideneamino]-5-phenoxy-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(E)-(2-nitrophenyl)methylideneamino]-5-phenoxy-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(E)-(2-nitrobenzylidene)amino]-5-phenoxy-benzothiophene-2-carboxamide Formula: C22H14ClN3O4S MolecularWeight: 451.88226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC3=C(C=C2)SC(=C3Cl)C(=O)NN=CC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC3=C(C=C2)SC(=C3Cl)C(=O)N/N=C/C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H14ClN3O4S/c23-20-17-12-16(30-15-7-2-1-3-8-15)10-11-19(17)31-21(20)22(27)25-24-13-14-6-4-5-9-18(14)26(28)29/h1-13H,(H,25,27)/b24-13+