2-methyl-2-[(2-methyl-3-nitro-phenyl)methylamino]pentanoic acid

Systemtic Name: 2-methyl-2-[(2-methyl-3-nitro-phenyl)methylamino]pentanoic acid Openeye Name: 2-methyl-2-[(2-methyl-3-nitro-phenyl)methylamino]pentanoic acid CAS Name: 2-methyl-2-[(2-methyl-3-nitrophenyl)methylamino]pentanoic acid IUPAC Name: 2-methyl-2-[(2-methyl-3-nitrophenyl)methylamino]pentanoic acid Traditional Name: 2-methyl-2-[(2-methyl-3-nitro-benzyl)amino]valeric acid Formula: C14H20N2O4 MolecularWeight: 280.3196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4/c1-4-8-14(3,13(17)18)15-9-11-6-5-7-12(10(11)2)16(19)20/h5-7,15H,4,8-9H2,1-3H3,(H,17,18)