[1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl] 4-methyl-3,5-dinitro-benzoate

Systemtic Name: [1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [1-methyl-2-oxo-2-(4-phenoxyanilino)ethyl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [1-oxo-1-(4-phenoxyanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenoxyanilino)propan-2-yl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [2-keto-1-methyl-2-(4-phenoxyanilino)ethyl] ester Formula: C23H19N3O8 MolecularWeight: 465.41226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H19N3O8/c1-14-20(25(29)30)12-16(13-21(14)26(31)32)23(28)33-15(2)22(27)24-17-8-10-19(11-9-17)34-18-6-4-3-5-7-18/h3-13,15H,1-2H3,(H,24,27)