2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-(2-chloranyl-5-nitro-phenyl)methylideneamino]ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-(2-chloranyl-5-nitro-phenyl)methylideneamino]ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-(2-chloro-5-nitro-phenyl)methyleneamino]acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[(E)-(2-chloro-5-nitro-benzylidene)amino]acetamide Formula: C16H11ClN4O4S MolecularWeight: 390.80094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC(=O)NN=CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC(=O)N/N=C/C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H11ClN4O4S/c17-12-6-5-11(21(23)24)7-10(12)8-18-20-15(22)9-26-16-19-13-3-1-2-4-14(13)25-16/h1-8H,9H2,(H,20,22)/b18-8+