N,N-diethyl-2-[4-(2-nitro-1,2-diphenyl-ethenyl)phenoxy]ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: N,N-diethyl-2-[4-(2-nitro-1,2-diphenyl-ethenyl)phenoxy]ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: N,N-diethyl-2-[4-(2-nitro-1,2-diphenyl-vinyl)phenoxy]ethanamine citrate CAS Name: N,N-diethyl-2-[4-(2-nitro-1,2-diphenylethenyl)phenoxy]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: N,N-diethyl-2-[4-(2-nitro-1,2-diphenylethenyl)phenoxy]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: diethyl-[2-[4-(2-nitro-1,2-diphenyl-vinyl)phenoxy]ethyl]amine citrate Formula: C32H33N2O10-3 MolecularWeight: 605.61182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)[N+](=O)[O-])C3=CC=CC=C3.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)[N+](=O)[O-])C3=CC=CC=C3.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C26H28N2O3.C6H8O7/c1-3-27(4-2)19-20-31-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(28(29)30)23-13-9-6-10-14-23;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,3-4,19-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3