2-methyl-5-(3-nitrophenyl)-1-octan-2-yl-pyrrole-3-carboxamide

Systemtic Name: 2-methyl-5-(3-nitrophenyl)-1-octan-2-yl-pyrrole-3-carboxamide Openeye Name: 2-methyl-1-(1-methylheptyl)-5-(3-nitrophenyl)pyrrole-3-carboxamide CAS Name: 2-methyl-5-(3-nitrophenyl)-1-octan-2-yl-3-pyrrolecarboxamide IUPAC Name: 2-methyl-5-(3-nitrophenyl)-1-octan-2-ylpyrrole-3-carboxamide Traditional Name: 2-methyl-1-(1-methylheptyl)-5-(3-nitrophenyl)pyrrole-3-carboxamide Formula: C20H27N3O3 MolecularWeight: 357.44668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)N1C(=C(C=C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)N)C

Isomeric SMILES

CCCCCCC(C)N1C(=C(C=C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)N)C

InChI

InChI=1S/C20H27N3O3/c1-4-5-6-7-9-14(2)22-15(3)18(20(21)24)13-19(22)16-10-8-11-17(12-16)23(25)26/h8,10-14H,4-7,9H2,1-3H3,(H2,21,24)