[2-[[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]methyl]-5-methoxy-3-(4-nitrophenoxy)phenyl] ethanoate

Systemtic Name: [2-[[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]methyl]-5-methoxy-3-(4-nitrophenoxy)phenyl] ethanoate Openeye Name: [2-[[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]methyl]-5-methoxy-3-(4-nitrophenoxy)phenyl] acetate CAS Name: acetic acid [2-[[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]methyl]-5-methoxy-3-(4-nitrophenoxy)phenyl] ester IUPAC Name: [2-[[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]methyl]-5-methoxy-3-(4-nitrophenoxy)phenyl] acetate Traditional Name: acetic acid [2-[[[(1S)-2-amino-1-benzyl-2-keto-ethyl]amino]methyl]-5-methoxy-3-(4-nitrophenoxy)phenyl] ester Formula: C25H25N3O7 MolecularWeight: 479.4819

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=CC(=C1CNC(CC2=CC=CC=C2)C(=O)N)OC3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC(=O)OC1=CC(=CC(=C1CN[C@@H](CC2=CC=CC=C2)C(=O)N)OC3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C25H25N3O7/c1-16(29)34-23-13-20(33-2)14-24(35-19-10-8-18(9-11-19)28(31)32)21(23)15-27-22(25(26)30)12-17-6-4-3-5-7-17/h3-11,13-14,22,27H,12,15H2,1-2H3,(H2,26,30)/t22-/m0/s1