(2S)-2-[2-(2,4-dinitrophenyl)ethoxycarbonylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[2-(2,4-dinitrophenyl)ethoxycarbonylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[2-(2,4-dinitrophenyl)ethoxycarbonylamino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[2-(2,4-dinitrophenyl)ethoxy-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[2-(2,4-dinitrophenyl)ethoxycarbonylamino]-4-methylpentanoic acid Traditional Name: (2S)-2-[2-(2,4-dinitrophenyl)ethoxycarbonylamino]-4-methyl-valeric acid Formula: C15H19N3O8 MolecularWeight: 369.32666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)OCCC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)OCCC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O8/c1-9(2)7-12(14(19)20)16-15(21)26-6-5-10-3-4-11(17(22)23)8-13(10)18(24)25/h3-4,8-9,12H,5-7H2,1-2H3,(H,16,21)(H,19,20)/t12-/m0/s1