(2-nitrophenyl)methyl 4-(1H-indol-3-yl)butanoate

Systemtic Name: (2-nitrophenyl)methyl 4-(1H-indol-3-yl)butanoate Openeye Name: (2-nitrophenyl)methyl 4-(1H-indol-3-yl)butanoate CAS Name: 4-(1H-indol-3-yl)butanoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 4-(1H-indol-3-yl)butanoate Traditional Name: 4-(1H-indol-3-yl)butyric acid (2-nitrobenzyl) ester Formula: C19H18N2O4 MolecularWeight: 338.35722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)CCCC2=CNC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)CCCC2=CNC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O4/c22-19(25-13-15-6-1-4-10-18(15)21(23)24)11-5-7-14-12-20-17-9-3-2-8-16(14)17/h1-4,6,8-10,12,20H,5,7,11,13H2