(3-nitrophenyl)methyl 2-[(4-fluorophenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: (3-nitrophenyl)methyl 2-[(4-fluorophenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: (3-nitrophenyl)methyl 2-[(4-fluorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[(4-fluorophenyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 2-[(4-fluorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[(4-fluorobenzoyl)amino]-3-(1H-indol-3-yl)propionic acid (3-nitrobenzyl) ester Formula: C25H20FN3O5 MolecularWeight: 461.441803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-])NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)OCC3=CC(=CC=C3)[N+](=O)[O-])NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H20FN3O5/c26-19-10-8-17(9-11-19)24(30)28-23(13-18-14-27-22-7-2-1-6-21(18)22)25(31)34-15-16-4-3-5-20(12-16)29(32)33/h1-12,14,23,27H,13,15H2,(H,28,30)