2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-(2-nitrophenyl)methylideneamino]ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-(2-nitrophenyl)methylideneamino]ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-(2-nitrophenyl)methyleneamino]acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[(E)-(2-nitrobenzylidene)amino]acetamide Formula: C16H12N4O4S MolecularWeight: 356.35588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=NNC(=O)CSC2=NC3=CC=CC=C3O2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)/C=N/NC(=O)CSC2=NC3=CC=CC=C3O2)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O4S/c21-15(10-25-16-18-12-6-2-4-8-14(12)24-16)19-17-9-11-5-1-3-7-13(11)20(22)23/h1-9H,10H2,(H,19,21)/b17-9+