(2S,3S)-2-[(4-methyl-3-nitro-phenyl)carbonylamino]-3-oxidanyl-butanoate

Systemtic Name: (2S,3S)-2-[(4-methyl-3-nitro-phenyl)carbonylamino]-3-oxidanyl-butanoate Openeye Name: (2S,3S)-3-hydroxy-2-[(4-methyl-3-nitro-benzoyl)amino]butanoate CAS Name: (2S,3S)-3-hydroxy-2-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]butanoate IUPAC Name: (2S,3S)-3-hydroxy-2-[(4-methyl-3-nitrobenzoyl)amino]butanoate Traditional Name: (2S,3S)-3-hydroxy-2-[(4-methyl-3-nitro-benzoyl)amino]butyrate Formula: C12H13N2O6- MolecularWeight: 281.24142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(C(C)O)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N[C@@H]([C@H](C)O)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O6/c1-6-3-4-8(5-9(6)14(19)20)11(16)13-10(7(2)15)12(17)18/h3-5,7,10,15H,1-2H3,(H,13,16)(H,17,18)/p-1/t7-,10-/m0/s1