3-methyl-2-[(2-nitrophenyl)methylamino]butanoic acid

Systemtic Name: 3-methyl-2-[(2-nitrophenyl)methylamino]butanoic acid Openeye Name: 3-methyl-2-[(2-nitrophenyl)methylamino]butanoic acid CAS Name: 3-methyl-2-[(2-nitrophenyl)methylamino]butanoic acid IUPAC Name: 3-methyl-2-[(2-nitrophenyl)methylamino]butanoic acid Traditional Name: 3-methyl-2-[(2-nitrobenzyl)amino]butyric acid Formula: C12H16N2O4 MolecularWeight: 252.26644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O4/c1-8(2)11(12(15)16)13-7-9-5-3-4-6-10(9)14(17)18/h3-6,8,11,13H,7H2,1-2H3,(H,15,16)