(2R)-2-ethyl-5-[(5-nitro-2-oxidanyl-phenyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2R)-2-ethyl-5-[(5-nitro-2-oxidanyl-phenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2R)-2-ethyl-5-(2-hydroxy-5-nitro-anilino)-5-oxo-pentanoic acid CAS Name: (2R)-2-ethyl-5-(2-hydroxy-5-nitroanilino)-5-oxopentanoic acid IUPAC Name: (2R)-2-ethyl-5-(2-hydroxy-5-nitroanilino)-5-oxopentanoic acid Traditional Name: (2R)-2-ethyl-5-(2-hydroxy-5-nitro-anilino)-5-keto-valeric acid Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])O)C(=O)O

Isomeric SMILES

CC[C@H](CCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])O)C(=O)O

InChI

InChI=1S/C13H16N2O6/c1-2-8(13(18)19)3-6-12(17)14-10-7-9(15(20)21)4-5-11(10)16/h4-5,7-8,16H,2-3,6H2,1H3,(H,14,17)(H,18,19)/t8-/m1/s1