2-[(2-methoxy-5-nitro-phenyl)methylamino]-2-methyl-pentanoic acid

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)methylamino]-2-methyl-pentanoic acid Openeye Name: 2-[(2-methoxy-5-nitro-phenyl)methylamino]-2-methyl-pentanoic acid CAS Name: 2-[(2-methoxy-5-nitrophenyl)methylamino]-2-methylpentanoic acid IUPAC Name: 2-[(2-methoxy-5-nitrophenyl)methylamino]-2-methylpentanoic acid Traditional Name: 2-[(2-methoxy-5-nitro-benzyl)amino]-2-methyl-valeric acid Formula: C14H20N2O5 MolecularWeight: 296.319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O5/c1-4-7-14(2,13(17)18)15-9-10-8-11(16(19)20)5-6-12(10)21-3/h5-6,8,15H,4,7,9H2,1-3H3,(H,17,18)