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

Systemtic Name: [2-[1-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [2-[1-(2-methoxyphenyl)ethylamino]-2-oxo-ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-keto-2-[1-(2-methoxyphenyl)ethylamino]ethyl] ester Formula: C18H17ClN2O6 MolecularWeight: 392.79038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1OC)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C1=CC=CC=C1OC)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H17ClN2O6/c1-11(13-5-3-4-6-16(13)26-2)20-17(22)10-27-18(23)14-9-12(21(24)25)7-8-15(14)19/h3-9,11H,10H2,1-2H3,(H,20,22)