2-methyl-2-[(2-nitrophenyl)methylamino]pentanoic acid

Systemtic Name: 2-methyl-2-[(2-nitrophenyl)methylamino]pentanoic acid Openeye Name: 2-methyl-2-[(2-nitrophenyl)methylamino]pentanoic acid CAS Name: 2-methyl-2-[(2-nitrophenyl)methylamino]pentanoic acid IUPAC Name: 2-methyl-2-[(2-nitrophenyl)methylamino]pentanoic acid Traditional Name: 2-methyl-2-[(2-nitrobenzyl)amino]valeric acid Formula: C13H18N2O4 MolecularWeight: 266.29302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NCC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CCCC(C)(C(=O)O)NCC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O4/c1-3-8-13(2,12(16)17)14-9-10-6-4-5-7-11(10)15(18)19/h4-7,14H,3,8-9H2,1-2H3,(H,16,17)