(2S)-5-nitro-4-oxidanylidene-2-(phenylmethyl)pentanoic acid

Systemtic Name: (2S)-5-nitro-4-oxidanylidene-2-(phenylmethyl)pentanoic acid Openeye Name: (2S)-2-benzyl-5-nitro-4-oxo-pentanoic acid CAS Name: (2S)-5-nitro-4-oxo-2-(phenylmethyl)pentanoic acid IUPAC Name: (2S)-2-benzyl-5-nitro-4-oxopentanoic acid Traditional Name: (2S)-2-benzyl-4-keto-5-nitro-valeric acid Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5/c14-11(8-13(17)18)7-10(12(15)16)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16)/t10-/m0/s1