[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 3-methyl-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 3-methyl-2-nitro-benzoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C13H16N2O5 MolecularWeight: 280.27654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)NC(C)C

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)NC(C)C

InChI

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