butyl (2S)-2-[[2-(5-nitro-1H-indol-3-yl)-2-oxidanylidene-ethanoyl]amino]propanoate

Systemtic Name: butyl (2S)-2-[[2-(5-nitro-1H-indol-3-yl)-2-oxidanylidene-ethanoyl]amino]propanoate Openeye Name: butyl (2S)-2-[[2-(5-nitro-1H-indol-3-yl)-2-oxo-acetyl]amino]propanoate CAS Name: (2S)-2-[[2-(5-nitro-1H-indol-3-yl)-1,2-dioxoethyl]amino]propanoic acid butyl ester IUPAC Name: butyl (2S)-2-[[2-(5-nitro-1H-indol-3-yl)-2-oxoacetyl]amino]propanoate Traditional Name: (2S)-2-[[2-keto-2-(5-nitro-1H-indol-3-yl)acetyl]amino]propionic acid butyl ester Formula: C17H19N3O6 MolecularWeight: 361.34926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)NC(=O)C(=O)C1=CNC2=C1C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)[C@H](C)NC(=O)C(=O)C1=CNC2=C1C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O6/c1-3-4-7-26-17(23)10(2)19-16(22)15(21)13-9-18-14-6-5-11(20(24)25)8-12(13)14/h5-6,8-10,18H,3-4,7H2,1-2H3,(H,19,22)/t10-/m0/s1