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

Systemtic Name: 2-[[3-[1-(2,4-dinitrophenyl)imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[1-[[1-(2,4-dinitrophenyl)imidazol-4-yl]methyl]-2-hydroxy-2-oxo-ethyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[3-[1-(2,4-dinitrophenyl)-4-imidazolyl]-1-hydroxy-1-oxopropan-2-yl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[3-[1-(2,4-dinitrophenyl)imidazol-4-yl]-1-hydroxy-1-oxopropan-2-yl]amino]-4-methylpentanoic acid Traditional Name: 2-[[1-[[1-(2,4-dinitrophenyl)imidazol-4-yl]methyl]-2-hydroxy-2-keto-ethyl]amino]-4-methyl-valeric acid Formula: C18H21N5O8 MolecularWeight: 435.38804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(CC1=CN(C=N1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)O)NC(CC1=CN(C=N1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H21N5O8/c1-10(2)5-13(17(24)25)20-14(18(26)27)6-11-8-21(9-19-11)15-4-3-12(22(28)29)7-16(15)23(30)31/h3-4,7-10,13-14,20H,5-6H2,1-2H3,(H,24,25)(H,26,27)