[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-propoxybenzoate

Systemtic Name: [(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-propoxybenzoate Openeye Name: [(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)O[C@H](C)C(=O)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O6/c1-3-12-26-15-10-8-14(9-11-15)19(23)27-13(2)18(22)20-16-6-4-5-7-17(16)21(24)25/h4-11,13H,3,12H2,1-2H3,(H,20,22)/t13-/m1/s1