butyl 2-azanyl-3-(3-nitro-4-oxidanyl-phenyl)propanoate

Systemtic Name: butyl 2-azanyl-3-(3-nitro-4-oxidanyl-phenyl)propanoate Openeye Name: butyl 2-amino-3-(4-hydroxy-3-nitro-phenyl)propanoate CAS Name: 2-amino-3-(4-hydroxy-3-nitrophenyl)propanoic acid butyl ester IUPAC Name: butyl 2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate Traditional Name: 2-amino-3-(4-hydroxy-3-nitro-phenyl)propionic acid butyl ester Formula: C13H18N2O5 MolecularWeight: 282.29242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CC1=CC(=C(C=C1)O)[N+](=O)[O-])N

Isomeric SMILES

CCCCOC(=O)C(CC1=CC(=C(C=C1)O)[N+](=O)[O-])N

InChI

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