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

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-[2-[(3-nitrophenyl)amino]ethanoylamino]propanoate Openeye Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(3-nitroanilino)acetyl]amino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[2-(3-nitroanilino)-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(3-nitroanilino)acetyl]amino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[[2-(3-nitroanilino)acetyl]amino]propionic acid methyl ester Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CNC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)CNC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5/c1-29-20(26)18(9-13-11-22-17-8-3-2-7-16(13)17)23-19(25)12-21-14-5-4-6-15(10-14)24(27)28/h2-8,10-11,18,21-22H,9,12H2,1H3,(H,23,25)/t18-/m0/s1