ethyl 4-[3-(4-nitro-2-oxidanyl-phenyl)propanoylamino]butanoate

Systemtic Name: ethyl 4-[3-(4-nitro-2-oxidanyl-phenyl)propanoylamino]butanoate Openeye Name: ethyl 4-[3-(2-hydroxy-4-nitro-phenyl)propanoylamino]butanoate CAS Name: 4-[[3-(2-hydroxy-4-nitrophenyl)-1-oxopropyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-hydroxy-4-nitrophenyl)propanoylamino]butanoate Traditional Name: 4-[3-(2-hydroxy-4-nitro-phenyl)propanoylamino]butyric acid ethyl ester Formula: C15H20N2O6 MolecularWeight: 324.3291

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CCC1=C(C=C(C=C1)[N+](=O)[O-])O

Isomeric SMILES

CCOC(=O)CCCNC(=O)CCC1=C(C=C(C=C1)[N+](=O)[O-])O

InChI

InChI=1S/C15H20N2O6/c1-2-23-15(20)4-3-9-16-14(19)8-6-11-5-7-12(17(21)22)10-13(11)18/h5,7,10,18H,2-4,6,8-9H2,1H3,(H,16,19)