(2S)-5-[(4-nitro-2-oxidanyl-phenyl)amino]-5-oxidanylidene-2-propan-2-yl-pentanoic acid

Systemtic Name: (2S)-5-[(4-nitro-2-oxidanyl-phenyl)amino]-5-oxidanylidene-2-propan-2-yl-pentanoic acid Openeye Name: (2S)-5-(2-hydroxy-4-nitro-anilino)-2-isopropyl-5-oxo-pentanoic acid CAS Name: (2S)-5-(2-hydroxy-4-nitroanilino)-5-oxo-2-propan-2-ylpentanoic acid IUPAC Name: (2S)-5-(2-hydroxy-4-nitroanilino)-5-oxo-2-propan-2-ylpentanoic acid Traditional Name: (2S)-5-(2-hydroxy-4-nitro-anilino)-2-isopropyl-5-keto-valeric acid Formula: C14H18N2O6 MolecularWeight: 310.30252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O6/c1-8(2)10(14(19)20)4-6-13(18)15-11-5-3-9(16(21)22)7-12(11)17/h3,5,7-8,10,17H,4,6H2,1-2H3,(H,15,18)(H,19,20)/t10-/m0/s1