3-(1H-indol-3-yl)-2-methyl-2-[(4-nitrophenyl)methoxycarbonylamino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-methyl-2-[(4-nitrophenyl)methoxycarbonylamino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-methyl-2-[(4-nitrophenyl)methoxycarbonylamino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-methyl-2-[[(4-nitrophenyl)methoxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-methyl-2-[(4-nitrophenyl)methoxycarbonylamino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-methyl-2-[(4-nitrobenzyl)oxycarbonylamino]propionic acid Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=CC=CC=C21)(C(=O)O)NC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(CC1=CNC2=CC=CC=C21)(C(=O)O)NC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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