N-[5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2,4-dinitro-phenyl]piperidin-1-amine

Systemtic Name: N-[5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2,4-dinitro-phenyl]piperidin-1-amine Openeye Name: N-[5-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-2,4-dinitro-phenyl]piperidin-1-amine CAS Name: N-[5-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-2,4-dinitrophenyl]-1-piperidinamine IUPAC Name: N-[5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2,4-dinitrophenyl]piperidin-1-amine Traditional Name: [5-(2,2-dimethylcoumaran-7-yl)oxy-2,4-dinitro-phenyl]-piperidino-amine Formula: C21H24N4O6 MolecularWeight: 428.43846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OC3=C(C=C(C(=C3)NN4CCCCC4)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OC3=C(C=C(C(=C3)NN4CCCCC4)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C21H24N4O6/c1-21(2)13-14-7-6-8-18(20(14)31-21)30-19-11-15(22-23-9-4-3-5-10-23)16(24(26)27)12-17(19)25(28)29/h6-8,11-12,22H,3-5,9-10,13H2,1-2H3