[(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: [(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: [(1R)-2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-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] 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-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)C1=CNC2=CC=CC=C21)OC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O6/c1-13(20(26)17-12-23-18-5-3-2-4-16(17)18)30-19(25)10-11-22-21(27)14-6-8-15(9-7-14)24(28)29/h2-9,12-13,23H,10-11H2,1H3,(H,22,27)/t13-/m1/s1