butoxycarbonyl 2-(methylamino)-3-(4-nitrophenyl)propanoate

Systemtic Name: butoxycarbonyl 2-(methylamino)-3-(4-nitrophenyl)propanoate Openeye Name: butoxycarbonyl 2-(methylamino)-3-(4-nitrophenyl)propanoate CAS Name: 2-(methylamino)-3-(4-nitrophenyl)propanoic acid [butoxy(oxo)methyl] ester IUPAC Name: butoxycarbonyl 2-(methylamino)-3-(4-nitrophenyl)propanoate Traditional Name: 2-(methylamino)-3-(4-nitrophenyl)propionic acid butoxycarbonyl ester Formula: C15H20N2O6 MolecularWeight: 324.3291

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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