methyl 3-(5-nitro-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl 3-(5-nitro-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-3-(5-nitro-1H-indol-3-yl)propanoate CAS Name: 3-(5-nitro-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl 3-(5-nitro-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(5-nitro-1H-indol-3-yl)propionic acid methyl ester Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=C1C=C(C=C2)[N+](=O)[O-])NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CC1=CNC2=C1C=C(C=C2)[N+](=O)[O-])NC(=O)OCC3=CC=CC=C3

InChI

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