2-[2-(2-chloranyl-4-nitro-phenoxy)ethanoylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[2-(2-chloranyl-4-nitro-phenoxy)ethanoylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-(2-chloro-4-nitro-phenoxy)acetyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-(2-chloro-4-nitrophenoxy)-1-oxoethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-(2-chloro-4-nitro-phenoxy)acetyl]amino]-4-methyl-valeric acid Formula: C14H17ClN2O6 MolecularWeight: 344.74758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)COC1=C(C=C(C=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)COC1=C(C=C(C=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H17ClN2O6/c1-8(2)5-11(14(19)20)16-13(18)7-23-12-4-3-9(17(21)22)6-10(12)15/h3-4,6,8,11H,5,7H2,1-2H3,(H,16,18)(H,19,20)