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

Systemtic Name: N2-cyclohexyl-N1,N1,2-tris(4-nitrophenyl)ethane-1,1,2-tricarboxamide Openeye Name: N2-cyclohexyl-N1,N1,2-tris(4-nitrophenyl)ethane-1,1,2-tricarboxamide CAS Name: N2-cyclohexyl-N1,N1,2-tris(4-nitrophenyl)ethane-1,1,2-tricarboxamide IUPAC Name: 2-N-cyclohexyl-1-N,1-N,2-tris(4-nitrophenyl)ethane-1,1,2-tricarboxamide Traditional Name: N2-cyclohexyl-N1,N1,2-tris(4-nitrophenyl)ethane-1,1,2-tricarboxamide Formula: C29H28N6O9 MolecularWeight: 604.56742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(C2=CC=C(C=C2)[N+](=O)[O-])C(C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)C(C2=CC=C(C=C2)[N+](=O)[O-])C(C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H28N6O9/c36-27(30-19-4-2-1-3-5-19)25(18-6-12-22(13-7-18)33(39)40)26(28(37)31-20-8-14-23(15-9-20)34(41)42)29(38)32-21-10-16-24(17-11-21)35(43)44/h6-17,19,25-26H,1-5H2,(H,30,36)(H,31,37)(H,32,38)