4-[(2-methoxy-5-nitro-phenyl)carbonyl-methyl-amino]butanoic acid

Systemtic Name: 4-[(2-methoxy-5-nitro-phenyl)carbonyl-methyl-amino]butanoic acid Openeye Name: 4-[(2-methoxy-5-nitro-benzoyl)-methyl-amino]butanoic acid CAS Name: 4-[[(2-methoxy-5-nitrophenyl)-oxomethyl]-methylamino]butanoic acid IUPAC Name: 4-[(2-methoxy-5-nitrobenzoyl)-methylamino]butanoic acid Traditional Name: 4-[(2-methoxy-5-nitro-benzoyl)-methyl-amino]butyric acid Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6/c1-14(7-3-4-12(16)17)13(18)10-8-9(15(19)20)5-6-11(10)21-2/h5-6,8H,3-4,7H2,1-2H3,(H,16,17)