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

Systemtic Name: [(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] butanoate Openeye Name: [(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] butanoate CAS Name: butanoic acid [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] butanoate Traditional Name: butyric acid [(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C13H16N2O5 MolecularWeight: 280.27654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(C)C(=O)NC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)O[C@H](C)C(=O)NC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O5/c1-3-6-12(16)20-9(2)13(17)14-10-7-4-5-8-11(10)15(18)19/h4-5,7-9H,3,6H2,1-2H3,(H,14,17)/t9-/m1/s1