methyl (2R)-2-[[4-(methylamino)-3-nitro-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[[4-(methylamino)-3-nitro-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[4-(methylamino)-3-nitro-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[[4-(methylamino)-3-nitrophenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[4-(methylamino)-3-nitrobenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[4-(methylamino)-3-nitro-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C14H19N3O5S MolecularWeight: 341.38276

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NC(CCSC)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)N[C@H](CCSC)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O5S/c1-15-10-5-4-9(8-12(10)17(20)21)13(18)16-11(6-7-23-3)14(19)22-2/h4-5,8,11,15H,6-7H2,1-3H3,(H,16,18)/t11-/m1/s1