methyl 3-[2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-[2-(4-nitroanilino)ethylamino]-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-2-[2-(4-nitroanilino)ethylamino]ethyl]thio]propionic acid methyl ester Formula: C14H19N3O5S MolecularWeight: 341.38276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O5S/c1-22-14(19)6-9-23-10-13(18)16-8-7-15-11-2-4-12(5-3-11)17(20)21/h2-5,15H,6-10H2,1H3,(H,16,18)