quinolin-8-ylmethyl 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: quinolin-8-ylmethyl 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: 8-quinolylmethyl 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid 8-quinolylmethyl ester Formula: C20H17N3O5 MolecularWeight: 379.36608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)COC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)COC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N=CC=C2

InChI

InChI=1S/C20H17N3O5/c24-18(28-13-16-4-1-3-14-5-2-11-21-19(14)16)10-12-22-20(25)15-6-8-17(9-7-15)23(26)27/h1-9,11H,10,12-13H2,(H,22,25)