[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate

Systemtic Name: [(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate Openeye Name: [(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-1-methyl-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O5/c1-13(26-19(23)15-9-3-5-11-17(15)21(24)25)18(22)20-12-6-8-14-7-2-4-10-16(14)20/h2-5,7,9-11,13H,6,8,12H2,1H3/t13-/m0/s1