2-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-2-methyl-pentanoic acid

Systemtic Name: 2-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-2-methyl-pentanoic acid Openeye Name: 2-[(2-chloro-5-nitro-benzoyl)amino]-2-methyl-pentanoic acid CAS Name: 2-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-2-methylpentanoic acid IUPAC Name: 2-[(2-chloro-5-nitrobenzoyl)amino]-2-methylpentanoic acid Traditional Name: 2-[(2-chloro-5-nitro-benzoyl)amino]-2-methyl-valeric acid Formula: C13H15ClN2O5 MolecularWeight: 314.7216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2O5/c1-3-6-13(2,12(18)19)15-11(17)9-7-8(16(20)21)4-5-10(9)14/h4-5,7H,3,6H2,1-2H3,(H,15,17)(H,18,19)