4-methyl-2-[[3-(4-nitrophenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]pentanoic acid

Systemtic Name: 4-methyl-2-[[3-(4-nitrophenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]pentanoic acid Openeye Name: 2-[[2-hydroxy-1-[(4-nitrophenyl)methyl]-2-oxo-ethyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[1-hydroxy-3-(4-nitrophenyl)-1-oxopropan-2-yl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[1-hydroxy-3-(4-nitrophenyl)-1-oxopropan-2-yl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-hydroxy-2-keto-1-(4-nitrobenzyl)ethyl]amino]-4-methyl-valeric acid Formula: C15H20N2O6 MolecularWeight: 324.3291

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H20N2O6/c1-9(2)7-12(14(18)19)16-13(15(20)21)8-10-3-5-11(6-4-10)17(22)23/h3-6,9,12-13,16H,7-8H2,1-2H3,(H,18,19)(H,20,21)