[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl] 4-methyl-3,5-dinitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [2-oxo-2-(4-phenoxyanilino)ethyl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenoxyanilino)ethyl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [2-keto-2-(4-phenoxyanilino)ethyl] ester Formula: C22H17N3O8 MolecularWeight: 451.38568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O8/c1-14-19(24(28)29)11-15(12-20(14)25(30)31)22(27)32-13-21(26)23-16-7-9-18(10-8-16)33-17-5-3-2-4-6-17/h2-12H,13H2,1H3,(H,23,26)