methyl (2R)-2-[[4-(methylamino)-3-nitro-phenyl]carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2R)-2-[[4-(methylamino)-3-nitro-phenyl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2R)-3-hydroxy-2-[[4-(methylamino)-3-nitro-benzoyl]amino]propanoate CAS Name: (2R)-3-hydroxy-2-[[[4-(methylamino)-3-nitrophenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-hydroxy-2-[[4-(methylamino)-3-nitrobenzoyl]amino]propanoate Traditional Name: (2R)-3-hydroxy-2-[[4-(methylamino)-3-nitro-benzoyl]amino]propionic acid methyl ester Formula: C12H15N3O6 MolecularWeight: 297.264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O6/c1-13-8-4-3-7(5-10(8)15(19)20)11(17)14-9(6-16)12(18)21-2/h3-5,9,13,16H,6H2,1-2H3,(H,14,17)/t9-/m1/s1