(2S)-4-methyl-2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]pentanoate

Systemtic Name: (2S)-4-methyl-2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]pentanoate Openeye Name: (2S)-4-methyl-2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]pentanoate CAS Name: (2S)-4-methyl-2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]pentanoate IUPAC Name: (2S)-4-methyl-2-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]pentanoate Traditional Name: (2S)-4-methyl-2-[(4-nitrobenzofurazan-5-yl)amino]valerate Formula: C12H13N4O5- MolecularWeight: 293.25542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC1=C(C2=NON=C2C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])NC1=C(C2=NON=C2C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O5/c1-6(2)5-9(12(17)18)13-8-4-3-7-10(15-21-14-7)11(8)16(19)20/h3-4,6,9,13H,5H2,1-2H3,(H,17,18)/p-1/t9-/m0/s1