[(3R,4R)-4-(methylamino)-8-nitro-1,2,3,4-tetrahydroquinolin-3-yl] propanoate

Systemtic Name: [(3R,4R)-4-(methylamino)-8-nitro-1,2,3,4-tetrahydroquinolin-3-yl] propanoate Openeye Name: [(3R,4R)-4-(methylamino)-8-nitro-1,2,3,4-tetrahydroquinolin-3-yl] propanoate CAS Name: propanoic acid [(3R,4R)-4-(methylamino)-8-nitro-1,2,3,4-tetrahydroquinolin-3-yl] ester IUPAC Name: [(3R,4R)-4-(methylamino)-8-nitro-1,2,3,4-tetrahydroquinolin-3-yl] propanoate Traditional Name: propionic acid [(3R,4R)-4-(methylamino)-8-nitro-1,2,3,4-tetrahydroquinolin-3-yl] ester Formula: C13H17N3O4 MolecularWeight: 279.29178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1CNC2=C(C1NC)C=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCC(=O)O[C@@H]1CNC2=C([C@H]1NC)C=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O4/c1-3-11(17)20-10-7-15-12-8(13(10)14-2)5-4-6-9(12)16(18)19/h4-6,10,13-15H,3,7H2,1-2H3/t10-,13-/m1/s1