(2,4-dinitrophenyl) N-[6-[(2,4-dinitrophenoxy)carbonylamino]hexyl]carbamate

Systemtic Name: (2,4-dinitrophenyl) N-[6-[(2,4-dinitrophenoxy)carbonylamino]hexyl]carbamate Openeye Name: (2,4-dinitrophenyl) N-[6-[(2,4-dinitrophenoxy)carbonylamino]hexyl]carbamate CAS Name: N-[6-[[(2,4-dinitrophenoxy)-oxomethyl]amino]hexyl]carbamic acid (2,4-dinitrophenyl) ester IUPAC Name: (2,4-dinitrophenyl) N-[6-[(2,4-dinitrophenoxy)carbonylamino]hexyl]carbamate Traditional Name: N-[6-[(2,4-dinitrophenoxy)carbonylamino]hexyl]carbamic acid (2,4-dinitrophenyl) ester Formula: C20H20N6O12 MolecularWeight: 536.4058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC(=O)NCCCCCCNC(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC(=O)NCCCCCCNC(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O12/c27-19(37-17-7-5-13(23(29)30)11-15(17)25(33)34)21-9-3-1-2-4-10-22-20(28)38-18-8-6-14(24(31)32)12-16(18)26(35)36/h5-8,11-12H,1-4,9-10H2,(H,21,27)(H,22,28)