tert-butyl 3-(1H-indol-3-yl)-2-[(5-methyl-2-nitro-phenyl)methoxycarbonylamino]propanoate

Systemtic Name: tert-butyl 3-(1H-indol-3-yl)-2-[(5-methyl-2-nitro-phenyl)methoxycarbonylamino]propanoate Openeye Name: tert-butyl 3-(1H-indol-3-yl)-2-[(5-methyl-2-nitro-phenyl)methoxycarbonylamino]propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[(5-methyl-2-nitrophenyl)methoxy-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(1H-indol-3-yl)-2-[(5-methyl-2-nitrophenyl)methoxycarbonylamino]propanoate Traditional Name: 3-(1H-indol-3-yl)-2-[(5-methyl-2-nitro-benzyl)oxycarbonylamino]propionic acid tert-butyl ester Formula: C24H27N3O6 MolecularWeight: 453.48768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H27N3O6/c1-15-9-10-21(27(30)31)17(11-15)14-32-23(29)26-20(22(28)33-24(2,3)4)12-16-13-25-19-8-6-5-7-18(16)19/h5-11,13,20,25H,12,14H2,1-4H3,(H,26,29)