ethyl 3-[[3-(4-nitrophenoxy)-2-oxidanyl-propyl]-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[[3-(4-nitrophenoxy)-2-oxidanyl-propyl]-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[2-hydroxy-3-(4-nitrophenoxy)propyl]amino]propanoate CAS Name: 3-[[2-hydroxy-3-(4-nitrophenoxy)propyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[2-hydroxy-3-(4-nitrophenoxy)propyl]amino]propanoate Traditional Name: 3-[benzyl-[2-hydroxy-3-(4-nitrophenoxy)propyl]amino]propionic acid ethyl ester Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1)CC(COC2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1)CC(COC2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C21H26N2O6/c1-2-28-21(25)12-13-22(14-17-6-4-3-5-7-17)15-19(24)16-29-20-10-8-18(9-11-20)23(26)27/h3-11,19,24H,2,12-16H2,1H3