[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl] 4-(2-hydroxyethylamino)-3-nitro-benzoate

Systemtic Name: [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl] 4-(2-hydroxyethylamino)-3-nitro-benzoate Openeye Name: [(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-1-methyl-2-oxo-ethyl] 4-(2-hydroxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-hydroxyethylamino)-3-nitrobenzoic acid [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4-(2-hydroxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-hydroxyethylamino)-3-nitro-benzoic acid [(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC2=CC=CC=C21)OC(=O)C3=CC(=C(C=C3)NCCO)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N1CCCC2=CC=CC=C21)OC(=O)C3=CC(=C(C=C3)NCCO)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c1-14(20(26)23-11-4-6-15-5-2-3-7-18(15)23)30-21(27)16-8-9-17(22-10-12-25)19(13-16)24(28)29/h2-3,5,7-9,13-14,22,25H,4,6,10-12H2,1H3/t14-/m1/s1