(2-nitrophenyl) 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (2-nitrophenyl) 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (2-nitrophenyl) 2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid (2-nitrophenyl) ester IUPAC Name: (2-nitrophenyl) 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propionic acid (2-nitrophenyl) ester Formula: C25H21N3O6 MolecularWeight: 459.45074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C25H21N3O6/c29-24(34-23-13-7-6-12-22(23)28(31)32)21(14-18-15-26-20-11-5-4-10-19(18)20)27-25(30)33-16-17-8-2-1-3-9-17/h1-13,15,21,26H,14,16H2,(H,27,30)