[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-keto-ethyl] ester Formula: C19H19ClN2O7 MolecularWeight: 422.81636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)OC)OC)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C1=C(C=CC(=C1)OC)OC)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H19ClN2O7/c1-11(14-9-13(27-2)5-7-17(14)28-3)21-18(23)10-29-19(24)15-8-12(22(25)26)4-6-16(15)20/h4-9,11H,10H2,1-3H3,(H,21,23)