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

Systemtic Name: 2-methyl-2-[(3-nitrophenyl)methylamino]pentanoic acid Openeye Name: 2-methyl-2-[(3-nitrophenyl)methylamino]pentanoic acid CAS Name: 2-methyl-2-[(3-nitrophenyl)methylamino]pentanoic acid IUPAC Name: 2-methyl-2-[(3-nitrophenyl)methylamino]pentanoic acid Traditional Name: 2-methyl-2-[(3-nitrobenzyl)amino]valeric acid Formula: C13H18N2O4 MolecularWeight: 266.29302

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