4-[(2-methoxy-5-nitro-phenyl)methylamino]butanoic acid

Systemtic Name: 4-[(2-methoxy-5-nitro-phenyl)methylamino]butanoic acid Openeye Name: 4-[(2-methoxy-5-nitro-phenyl)methylamino]butanoic acid CAS Name: 4-[(2-methoxy-5-nitrophenyl)methylamino]butanoic acid IUPAC Name: 4-[(2-methoxy-5-nitrophenyl)methylamino]butanoic acid Traditional Name: 4-[(2-methoxy-5-nitro-benzyl)amino]butyric acid Formula: C12H16N2O5 MolecularWeight: 268.26584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CNCCCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CNCCCC(=O)O

InChI

InChI=1S/C12H16N2O5/c1-19-11-5-4-10(14(17)18)7-9(11)8-13-6-2-3-12(15)16/h4-5,7,13H,2-3,6,8H2,1H3,(H,15,16)