N2-tert-butyl-N1,N1,2-tris(4-nitrophenyl)ethane-1,1,2-tricarboxamide

Systemtic Name: N2-tert-butyl-N1,N1,2-tris(4-nitrophenyl)ethane-1,1,2-tricarboxamide Openeye Name: N2-tert-butyl-N1,N1,2-tris(4-nitrophenyl)ethane-1,1,2-tricarboxamide CAS Name: N2-tert-butyl-N1,N1,2-tris(4-nitrophenyl)ethane-1,1,2-tricarboxamide IUPAC Name: 2-N-tert-butyl-1-N,1-N,2-tris(4-nitrophenyl)ethane-1,1,2-tricarboxamide Traditional Name: N2-tert-butyl-N1,N1,2-tris(4-nitrophenyl)ethane-1,1,2-tricarboxamide Formula: C27H26N6O9 MolecularWeight: 578.53014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C(C1=CC=C(C=C1)[N+](=O)[O-])C(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)C(C1=CC=C(C=C1)[N+](=O)[O-])C(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H26N6O9/c1-27(2,3)30-26(36)22(16-4-10-19(11-5-16)31(37)38)23(24(34)28-17-6-12-20(13-7-17)32(39)40)25(35)29-18-8-14-21(15-9-18)33(41)42/h4-15,22-23H,1-3H3,(H,28,34)(H,29,35)(H,30,36)