ethyl 2-[2-[3-[(2-chloranyl-4-nitro-phenyl)amino]propylamino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-[3-[(2-chloranyl-4-nitro-phenyl)amino]propylamino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-[3-(2-chloro-4-nitro-anilino)propylamino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[3-(2-chloro-4-nitroanilino)propylamino]-2-oxoethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[3-(2-chloro-4-nitroanilino)propylamino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[3-(2-chloro-4-nitro-anilino)propylamino]-2-keto-ethyl]thio]acetic acid ethyl ester Formula: C15H20ClN3O5S MolecularWeight: 389.8544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC(=O)NCCCNC1=C(C=C(C=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)CSCC(=O)NCCCNC1=C(C=C(C=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H20ClN3O5S/c1-2-24-15(21)10-25-9-14(20)18-7-3-6-17-13-5-4-11(19(22)23)8-12(13)16/h4-5,8,17H,2-3,6-7,9-10H2,1H3,(H,18,20)