(4-aminocarbonyl-2-nitro-phenyl)methyl 3-(1H-indol-3-yl)propanoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 3-(1H-indol-3-yl)propanoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C19H17N3O5 MolecularWeight: 367.35538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O5/c20-19(24)12-5-6-14(17(9-12)22(25)26)11-27-18(23)8-7-13-10-21-16-4-2-1-3-15(13)16/h1-6,9-10,21H,7-8,11H2,(H2,20,24)