(2S,3S)-4-methyl-3-[(4-nitrophenyl)-oxidanyl-amino]pent-4-en-2-ol

Systemtic Name: (2S,3S)-4-methyl-3-[(4-nitrophenyl)-oxidanyl-amino]pent-4-en-2-ol Openeye Name: (2S,3S)-3-(N-hydroxy-4-nitro-anilino)-4-methyl-pent-4-en-2-ol CAS Name: (2S,3S)-3-(N-hydroxy-4-nitroanilino)-4-methyl-4-penten-2-ol IUPAC Name: (2S,3S)-3-(N-hydroxy-4-nitroanilino)-4-methylpent-4-en-2-ol Traditional Name: (2S,3S)-3-(N-hydroxy-4-nitro-anilino)-4-methyl-pent-4-en-2-ol Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O4/c1-8(2)12(9(3)15)13(16)10-4-6-11(7-5-10)14(17)18/h4-7,9,12,15-16H,1H2,2-3H3/t9-,12-/m0/s1