[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 2-(methylamino)-5-nitro-benzoate

Systemtic Name: [2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [2-(diisopropylamino)-2-oxo-ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [2-[di(propan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [2-(diisopropylamino)-2-keto-ethyl] ester Formula: C16H23N3O5 MolecularWeight: 337.37092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O5/c1-10(2)18(11(3)4)15(20)9-24-16(21)13-8-12(19(22)23)6-7-14(13)17-5/h6-8,10-11,17H,9H2,1-5H3