1-[(3R,4R)-4-(methylamino)-8-nitro-3-oxidanyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one

Systemtic Name: 1-[(3R,4R)-4-(methylamino)-8-nitro-3-oxidanyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one Openeye Name: 1-[(3R,4R)-3-hydroxy-4-(methylamino)-8-nitro-3,4-dihydro-2H-quinolin-1-yl]propan-1-one CAS Name: 1-[(3R,4R)-3-hydroxy-4-(methylamino)-8-nitro-3,4-dihydro-2H-quinolin-1-yl]-1-propanone IUPAC Name: 1-[(3R,4R)-3-hydroxy-4-(methylamino)-8-nitro-3,4-dihydro-2H-quinolin-1-yl]propan-1-one Traditional Name: 1-[(3R,4R)-3-hydroxy-4-(methylamino)-8-nitro-3,4-dihydro-2H-quinolin-1-yl]propan-1-one Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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