[(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] (2S)-2-[(3-nitrophenyl)carbonylamino]propanoate

Systemtic Name: [(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] (2S)-2-[(3-nitrophenyl)carbonylamino]propanoate Openeye Name: [(1R)-2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] (2S)-2-[(3-nitrobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-nitrophenyl)-oxomethyl]amino]propanoic acid [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] (2S)-2-[(3-nitrobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(3-nitrobenzoyl)amino]propionic acid [(1R)-2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)C(=O)C1=CNC2=CC=CC=C21)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)O[C@H](C)C(=O)C1=CNC2=CC=CC=C21)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O6/c1-12(23-20(26)14-6-5-7-15(10-14)24(28)29)21(27)30-13(2)19(25)17-11-22-18-9-4-3-8-16(17)18/h3-13,22H,1-2H3,(H,23,26)/t12-,13+/m0/s1