N-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl]-4-(methylthio)-3-nitro-benzamide Formula: C16H13ClFN3O4S MolecularWeight: 397.808523

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC(=C(C=C2)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC(=C(C=C2)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClFN3O4S/c1-26-14-5-2-9(6-13(14)21(24)25)16(23)19-8-15(22)20-10-3-4-12(18)11(17)7-10/h2-7H,8H2,1H3,(H,19,23)(H,20,22)