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

Systemtic Name: 4-[(2-methoxy-5-nitro-phenyl)carbonylamino]butanoic acid Openeye Name: 4-[(2-methoxy-5-nitro-benzoyl)amino]butanoic acid CAS Name: 4-[[(2-methoxy-5-nitrophenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(2-methoxy-5-nitrobenzoyl)amino]butanoic acid Traditional Name: 4-[(2-methoxy-5-nitro-benzoyl)amino]butyric acid Formula: C12H14N2O6 MolecularWeight: 282.24936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O6/c1-20-10-5-4-8(14(18)19)7-9(10)12(17)13-6-2-3-11(15)16/h4-5,7H,2-3,6H2,1H3,(H,13,17)(H,15,16)