2,5-dimethyl-4-(4-nitrophenyl)-1-(phenylmethyl)-N-undecyl-pyrrole-3-carboxamide

Systemtic Name: 2,5-dimethyl-4-(4-nitrophenyl)-1-(phenylmethyl)-N-undecyl-pyrrole-3-carboxamide Openeye Name: 1-benzyl-2,5-dimethyl-4-(4-nitrophenyl)-N-undecyl-pyrrole-3-carboxamide CAS Name: 2,5-dimethyl-4-(4-nitrophenyl)-1-(phenylmethyl)-N-undecyl-3-pyrrolecarboxamide IUPAC Name: 1-benzyl-2,5-dimethyl-4-(4-nitrophenyl)-N-undecylpyrrole-3-carboxamide Traditional Name: 1-benzyl-2,5-dimethyl-4-(4-nitrophenyl)-N-undecyl-pyrrole-3-carboxamide Formula: C31H41N3O3 MolecularWeight: 503.67554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCNC(=O)C1=C(N(C(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)CC3=CC=CC=C3)C

Isomeric SMILES

CCCCCCCCCCCNC(=O)C1=C(N(C(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)CC3=CC=CC=C3)C

InChI

InChI=1S/C31H41N3O3/c1-4-5-6-7-8-9-10-11-15-22-32-31(35)30-25(3)33(23-26-16-13-12-14-17-26)24(2)29(30)27-18-20-28(21-19-27)34(36)37/h12-14,16-21H,4-11,15,22-23H2,1-3H3,(H,32,35)