2-[(4-methoxy-3-nitro-phenyl)methylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)methylamino]-3-methyl-butanoic acid Openeye Name: 2-[(4-methoxy-3-nitro-phenyl)methylamino]-3-methyl-butanoic acid CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylamino]-3-methylbutanoic acid IUPAC Name: 2-[(4-methoxy-3-nitrophenyl)methylamino]-3-methylbutanoic acid Traditional Name: 2-[(4-methoxy-3-nitro-benzyl)amino]-3-methyl-butyric acid Formula: C13H18N2O5 MolecularWeight: 282.29242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O5/c1-8(2)12(13(16)17)14-7-9-4-5-11(20-3)10(6-9)15(18)19/h4-6,8,12,14H,7H2,1-3H3,(H,16,17)