tert-butyl 3-(1H-indol-3-yl)-2-[(3-nitrophenyl)methoxycarbonylamino]propanoate

Systemtic Name: tert-butyl 3-(1H-indol-3-yl)-2-[(3-nitrophenyl)methoxycarbonylamino]propanoate Openeye Name: tert-butyl 3-(1H-indol-3-yl)-2-[(3-nitrophenyl)methoxycarbonylamino]propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[(3-nitrophenyl)methoxy-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(1H-indol-3-yl)-2-[(3-nitrophenyl)methoxycarbonylamino]propanoate Traditional Name: 3-(1H-indol-3-yl)-2-[(3-nitrobenzyl)oxycarbonylamino]propionic acid tert-butyl ester Formula: C23H25N3O6 MolecularWeight: 439.4611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O6/c1-23(2,3)32-21(27)20(12-16-13-24-19-10-5-4-9-18(16)19)25-22(28)31-14-15-7-6-8-17(11-15)26(29)30/h4-11,13,20,24H,12,14H2,1-3H3,(H,25,28)