2-[4-[(E)-N-[(2,4-dinitrophenyl)amino]-C-methyl-carbonimidoyl]phenoxy]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[(E)-N-[(2,4-dinitrophenyl)amino]-C-methyl-carbonimidoyl]phenoxy]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[(E)-N-(2,4-dinitroanilino)-C-methyl-carbonimidoyl]phenoxy]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[(1E)-1-[(2,4-dinitrophenyl)hydrazinylidene]ethyl]phenoxy]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[(E)-N-(2,4-dinitroanilino)-C-methylcarbonimidoyl]phenoxy]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[(E)-N-(2,4-dinitroanilino)-C-methyl-carbonimidoyl]phenoxy]-1-pyrrolidino-ethanone Formula: C20H21N5O6 MolecularWeight: 427.41064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C2=CC=C(C=C2)OCC(=O)N3CCCC3

Isomeric SMILES

C/C(=N\NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/C2=CC=C(C=C2)OCC(=O)N3CCCC3

InChI

InChI=1S/C20H21N5O6/c1-14(21-22-18-9-6-16(24(27)28)12-19(18)25(29)30)15-4-7-17(8-5-15)31-13-20(26)23-10-2-3-11-23/h4-9,12,22H,2-3,10-11,13H2,1H3/b21-14+