methyl (2S)-3-(1H-indol-3-yl)-2-[2-(3-nitrophenoxy)ethanoylamino]propanoate

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-[2-(3-nitrophenoxy)ethanoylamino]propanoate Openeye Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(3-nitrophenoxy)acetyl]amino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[2-(3-nitrophenoxy)-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(3-nitrophenoxy)acetyl]amino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[[2-(3-nitrophenoxy)acetyl]amino]propionic acid methyl ester Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)COC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)COC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O6/c1-28-20(25)18(9-13-11-21-17-8-3-2-7-16(13)17)22-19(24)12-29-15-6-4-5-14(10-15)23(26)27/h2-8,10-11,18,21H,9,12H2,1H3,(H,22,24)/t18-/m0/s1