[(3R,4R)-4-(methylamino)-8-nitro-1-propanoyl-3,4-dihydro-2H-quinolin-3-yl] propanoate

Systemtic Name: [(3R,4R)-4-(methylamino)-8-nitro-1-propanoyl-3,4-dihydro-2H-quinolin-3-yl] propanoate Openeye Name: [(3R,4R)-4-(methylamino)-8-nitro-1-propanoyl-3,4-dihydro-2H-quinolin-3-yl] propanoate CAS Name: propanoic acid [(3R,4R)-4-(methylamino)-8-nitro-1-(1-oxopropyl)-3,4-dihydro-2H-quinolin-3-yl] ester IUPAC Name: [(3R,4R)-4-(methylamino)-8-nitro-1-propanoyl-3,4-dihydro-2H-quinolin-3-yl] propanoate Traditional Name: propionic acid [(3R,4R)-4-(methylamino)-8-nitro-1-propionyl-3,4-dihydro-2H-quinolin-3-yl] ester Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CC(C(C2=C1C(=CC=C2)[N+](=O)[O-])NC)OC(=O)CC

Isomeric SMILES

CCC(=O)N1C[C@H]([C@@H](C2=C1C(=CC=C2)[N+](=O)[O-])NC)OC(=O)CC

InChI

InChI=1S/C16H21N3O5/c1-4-13(20)18-9-12(24-14(21)5-2)15(17-3)10-7-6-8-11(16(10)18)19(22)23/h6-8,12,15,17H,4-5,9H2,1-3H3/t12-,15-/m1/s1