N-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl]-2-prop-2-enylsulfanyl-ethanamide

Systemtic Name: N-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl]-2-prop-2-enylsulfanyl-ethanamide Openeye Name: 2-allylsulfanyl-N-[2-(2-chloro-4-nitro-anilino)ethyl]acetamide CAS Name: N-[2-(2-chloro-4-nitroanilino)ethyl]-2-(prop-2-enylthio)acetamide IUPAC Name: N-[2-(2-chloro-4-nitroanilino)ethyl]-2-prop-2-enylsulfanylacetamide Traditional Name: 2-(allylthio)-N-[2-(2-chloro-4-nitro-anilino)ethyl]acetamide Formula: C13H16ClN3O3S MolecularWeight: 329.80244

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSCC(=O)NCCNC1=C(C=C(C=C1)[N+](=O)[O-])Cl

Isomeric SMILES

C=CCSCC(=O)NCCNC1=C(C=C(C=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H16ClN3O3S/c1-2-7-21-9-13(18)16-6-5-15-12-4-3-10(17(19)20)8-11(12)14/h2-4,8,15H,1,5-7,9H2,(H,16,18)